Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 10/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 10/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.35 |
| ▸ | INPPL1 | O15357 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5766781 | 0.87 | ALDH1A1 (0.43) | ALDH1A1RAB9ANPC1SLC6A2SLC6A4 | |
| SCHEMBL5766429 | 0.86 | SLC6A2 (0.38) | SLC6A2SLC6A4SLC6A3KMT2AHTR1A | |
| SCHEMBL5764697 | 0.84 | HTR6 (0.39) | ALDH1A1RAB9ANPC1KMT2AKCNH2 | |
| SCHEMBL5764323 | 0.82 | HTR6 (0.43) | RAB9ANPC1SLC6A4 | |
| SCHEMBL5763905 | 0.81 | CCR5 (0.36) | RAB9ANPC1KMT2AKCNH2 | |
| SCHEMBL5765334 | 0.81 | HTR6 (0.40) | ALDH1A1RAB9ANPC1SLC6A2SLC6A4 | |
| SCHEMBL5765310 | 0.80 | HTR6 (0.43) | SLC6A2SLC6A4SLC6A3HTR1A | |
| SCHEMBL5762055 | 0.77 | CCR5 (0.39) | SLC6A2SLC6A4SLC6A3KMT2AHTT | |
| SCHEMBL5762632 | 0.77 | SLC6A2 (0.41) | SLC6A2SLC6A4SLC6A3KMT2AHTR1A | |
| SCHEMBL5764779 | 0.76 | HTR6 (0.40) | KMT2AKCNH2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1192133-B1 | N-CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO INC (US) | 2006-11-02 | — | — | EP | disclosed |
| US-6593346-B2 | Substituted 3-(piperidin-1-ylmethyl)cyclopentylamines, useful as modulators of the chemokine receptors CCR-5 and/or CC R-3. | MERCK & CO. INC. | 2003-07-15 | — | — | US | disclosed |
| US-6538002-B1 | In particular, these compounds are useful as modulators of the chemokine receptors CCR-5 and/or CCR-3. as antiinflammatory agents | MERCK & CO., INC. | 2003-03-25 | — | — | US | disclosed |
| US-20020120146-A1 | N-cyclopentyl modulators of chemokine receptor activity | MERCK SHARP & DOHME CORP. | 2002-08-29 | — | — | US | disclosed |
| US-6432981-B1 | BLOCKS HUMAN IMMUNODEFICIENCY VIRUS (HIV) FROM ENTERING CELLS; AUTOIMMUNE DISEASES; ANTIALLERGENS, ANTIINFLAMMATORY AND ANTIASTHMATIC AGENTS | MERCK & CO., INC. | 2002-08-13 | — | — | US | disclosed |
| US-6358979-B1 | FOR THERAPY AND PROPHYLAXIS OF ASTHMA, ALLERGIC RHINITIS, DERMATITIS, CONJUNCTIVITIS, ATHEROSCLEROSIS OR RHEUMATOID ARTHRITIS, INFECTION BY HIV, TREATING INFECTION BY HIV, DELAYING OF THE ONSET OF AIDS | MERCK & CO., INC. | 2002-03-19 | — | — | US | 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 (1 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-20020120146-A1 | N-cyclopentyl modulators of chemokine receptor activity | CCR1, CCR3, CCR5 | ALDH1A1 1904/4885RAB9A 1266/4885NPC1 864/4885 |
“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.