Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 2/20 | 0.39 |
| ▸ | CHRM1 known ✓ | P11229 | 2/20 | 0.39 |
| ▸ | CHRM3 known ✓ | P20309 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.43 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.43 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.43 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.43 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.43 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.43 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.43 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.43 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | CTSL | P07711 | 1/20 | 0.40 |
| ▸ | CTSB | P07858 | 1/20 | 0.40 |
| ▸ | CTSH | P09668 | 1/20 | 0.40 |
| ▸ | CTSS | P25774 | 1/20 | 0.40 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL111213 | 0.96 | ALDH1A1 (0.50) | ALDH1A1HIF1AKCNN4GRIN2DGRIN3B | |
| SCHEMBL17961930 | 0.84 | GRIN2D (0.41) | ALDH1A1HIF1AKCNN4GRIN2DGRIN3B | |
| SCHEMBL8034200 | 0.83 | HIF1A (0.47) | ALDH1A1HIF1AKCNN4GRIN2DGRIN3B | |
| SCHEMBL11268748 | 0.80 | ALDH1A1 (0.48) | ALDH1A1HIF1AKCNN4GRIN2DGRIN3B | |
| SCHEMBL13016868 | 0.80 | GRIN2D (0.47) | ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL4590400 | 0.80 | MAPT (0.50) | ALDH1A1HIF1AKCNN4GRIN2DGRIN3B | |
| SCHEMBL11266149 | 0.80 | HIF1A (0.44) | ALDH1A1HIF1AKCNN4GRIN2DGRIN3B | |
| SCHEMBL10780734 | 0.79 | ALDH1A1 (0.52) | ALDH1A1HIF1AKCNN4CYP2C19KMT2A | |
| SCHEMBL9189254 | 0.79 | ALDH1A1 (0.52) | ALDH1A1HIF1AKCNN4CYP2C19KMT2A | |
| SCHEMBL19820877 | 0.79 | GRIN2D (0.41) | ALDH1A1HIF1AKCNN4GRIN2DGRIN3B |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2261208-A1 | Intermediates for the preparation of antihistaminic 4-diphenylmethyl/diphenylmethoxy piperidine derivatives | Aventisub II Inc. (US) | 2010-12-15 | — | — | EP | disclosed |
| EP-2261207-A1 | Intermediates for the preparation of antihistaminic 4-diphenylmethyl/diphenylmethoxy piperidine derivatives | Aventisub II Inc. (US) | 2010-12-15 | — | — | EP | disclosed |
| EP-1953142-A1 | Process for the preparation of antihistaminic 4-diphenylmethyl piperidine derivatives | Aventis Inc. (US) | 2008-08-06 | — | — | EP | disclosed |
| US-6777555-B2 | 3-(OPTIONALLY HYDROXYL)-4-(CYCLOPROPYLCARBONYL)-CUMENE INTERMEDIATE | MERRELL PHARMACEUTICALS, INC. | 2004-08-17 | — | — | US | disclosed |
| US-20030220496-A1 | Novel intermediates useful for the preparation of antihistaminic piperidine derivatives | MERRELL PHARMACEUTICALS, INC. | 2003-11-27 | — | — | US | disclosed |
| US-6566526-B2 | Intermediates useful for the preparation of antihistaminic piperidine derivatives | MERRELL PHARMACEUTICALS INC. | 2003-05-20 | — | — | US | disclosed |
| US-6559312-B2 | Cyclopropyl phenyl ketone compound | MERRELL PHARMACEUTICALS INC. | 2003-05-06 | — | — | US | disclosed |
| US-6555689-B2 | Antiallergy agents and bronchodilators | MERRELL PHARMACEUTICALS INC. | 2003-04-29 | — | — | US | disclosed |
| US-6552200-B2 | Antiallergens | MERRELL PHARMACEUTICALS INC. | 2003-04-22 | — | — | US | disclosed |
| US-6548675-B2 | 1-Cyclopropylcarbonyl-2-hydroxy(optional),4-isopropylbenzene used as starting materials for 1-((2-hydroxy(optional),4-alkylphenyl)carbonylalkyl-),4-(diphenylmethyl -)piperidine derivatives; antihistamines; antiallergens; bronchodilators | MERRELL PHARMACEUTICALS INC. | 2003-04-15 | — | — | US | disclosed |
| US-20020007085-A1 | Novel intermediates useful for the preparation of antihistaminic piperidine derivatives | MERRELL PHARMACEUTICALS INC. | 2002-01-17 | — | — | US | disclosed |
| US-20010031895-A1 | Novel intermediates useful for the preparation of antihistaminic piperidine derivatives | MERRELL DOW PHARMACEUTICALS INC. | 2001-10-18 | — | — | US | disclosed |
| US-20010021791-A1 | Novel intermediates useful for the preparation of antihistaminic piperidine derivatives | MERRELL PHARMACEUTICALS INC. | 2001-09-13 | — | — | US | disclosed |
| US-20010020114-A1 | Novel intermediates useful for the preparation of antihistaminic piperidine derivatives | MERRELL PHARMACEUTICALS INC. | 2001-09-06 | — | — | US | disclosed |
| US-20010018521-A1 | Novel intermediates useful for the preparation of antihistaminic piperidine derivatives | MERRELL PHARMACEUTICALS INC. | 2001-08-30 | — | — | US | disclosed |
| US-6242606-B1 | REACTING A A,A-DIMETHYLPHENYLACETIC ACID AMIDE WITH A W-HALO COMPOUND PRODUCES W'-HALO-A-KETO-A,A-DIMETHYLPHENYLACETIC ACID AMIDE AND REACTING IT WITH A PIPERIDINE COMPOUND; 2-(4-(4-CHLORO-BUTYRYL)-PHENYL)-2-METHY-PROPIONIC ACID | MERRELL PHARMACEUTICALS INC. | 2001-06-05 | — | — | US | disclosed |
| US-20010000038-A1 | Novel intermediates useful for the preparation of antihistaminic piperidine derivatives | CHATTEM INC. | 2001-03-15 | — | — | US | disclosed |
| US-6147216-A | Intermediates useful for the preparation of antihistaminic piperidine derivatives | MERRELL PHARMACEUTICALS INC. (US) | 2000-11-14 | — | — | US | disclosed |
| EP-0705245-A1 | NOVEL INTERMEDIATES FOR THE PREPARATION OF ANTIHISTAMINIC 4-DIPHENYLMETHYL/DIPHENYLMETHOXY PIPERIDINE DERIVATIVES | MERRELL PHARMACEUTICALS INC. (US) | 1996-04-10 | — | — | EP | disclosed |
| WO-1995000480-A1 | NOVEL INTERMEDIATES FOR THE PREPARATION OF ANTIHISTAMINIC 4-DIPHENYLMETHYL/DIPHENYLMETHOXY PIPERIDINE DERIVATIVES | MERRELL PHARMACEUTICALS INC. (US) | 1995-01-05 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20010000038-A1 | Novel intermediates useful for the preparation of antihistaminic piperidine derivatives | HRH1, HRH3, HRH4 | CHRM2 63/4885CHRM1 20/4885CHRM3 57/4885 |
| US-20010020114-A1 | Novel intermediates useful for the preparation of antihistaminic piperidine derivatives | HRH1, HRH3, HRH4 | CHRM2 70/4885CHRM1 21/4885CHRM3 80/4885 |
| US-20030220496-A1 | Novel intermediates useful for the preparation of antihistaminic piperidine derivatives | HRH1, HRH3, HRH4 | CHRM2 63/4885CHRM1 20/4885CHRM3 57/4885 |
| US-20010021791-A1 | Novel intermediates useful for the preparation of antihistaminic piperidine derivatives | HRH1, HRH3, HRH4 | CHRM2 42/4885CHRM1 13/4885CHRM3 41/4885 |
| US-20010031895-A1 | Novel intermediates useful for the preparation of antihistaminic piperidine derivatives | HRH1, HRH4, HRH3 | CHRM2 45/4885CHRM1 14/4885CHRM3 44/4885 |
| US-20010018521-A1 | Novel intermediates useful for the preparation of antihistaminic piperidine derivatives | HRH1, HRH3, HRH4 | CHRM2 49/4885CHRM1 16/4885CHRM3 47/4885 |
| US-20020007085-A1 | Novel intermediates useful for the preparation of antihistaminic piperidine derivatives | HRH1, HRH3, HRH4 | CHRM2 51/4885CHRM1 16/4885CHRM3 48/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.