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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH1 | P35367 | 2/20 | 0.59 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | LIN28A | Q9H9Z2 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1845055 | 0.98 | — | — | |
| SCHEMBL30587312 | 0.98 | — | — | |
| SCHEMBL27877716 | 0.95 | HRH1 (0.59) | HRH1HRH3ALDH1A1LMNATAAR1 | |
| Hydrochloric Acid SCHEMBL178022 | 0.95 | HRH1 (0.59) | HRH1HRH3ALDH1A1LMNATAAR1 | |
| SCHEMBL3046123 | 0.86 | HRH1 (0.62) | HRH1HRH3ALDH1A1LMNATAAR1 | |
| SCHEMBL26416035 | 0.84 | HRH1 (0.66) | HRH1HRH3ALDH1A1LMNATAAR1 | |
| SCHEMBL29485678 | 0.83 | HRH1 (0.73) | HRH1HRH3ALDH1A1LMNATAAR1 | |
| SCHEMBL230753 | 0.83 | HRH1 (0.73) | HRH1HRH3ALDH1A1LMNATAAR1 | |
| SCHEMBL31591272 | 0.83 | HRH1 (0.69) | HRH1HRH3ALDH1A1LMNATAAR1 | |
| SCHEMBL28529895 | 0.83 | HRH1 (0.69) | HRH1HRH3ALDH1A1LMNATAAR1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8697700-B2 | Piperazinone-substituted tetrahydro-carboline MCH-1 antagonists, methods of making, and uses thereof | ALBANY MOLECULAR RESEARCH, INC. (US) | 2014-04-15 | — | — | US | disclosed |
| US-8637501-B2 | Azinone-substituted azepino[b]indole and pyrido-pyrrolo-azepine MCH-1 antagonists, methods of making, and use thereof | ALBANY MOLECULAR RESEARCH, INC. (US) | 2014-01-28 | — | — | US | disclosed |
| EP-2448585-B1 | AZINONE-SUBSTITUTED AZEPINO[B]INDOLE AND PYRIDO-PYRROLO-AZEPINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF | ALBANY MOLECULAR RES INC (US) | 2014-01-01 | — | — | EP | disclosed |
| WO-2012088038-A2 | PIPERAZINONE-SUBSTITUTED TETRAHYDRO-CARBOLINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USES THEREOF | ALBANY MOLECULAR RESEARCH, INC. (US) | 2012-06-28 | — | — | WO | disclosed |
| US-20120157469-A1 | PIPERAZINONE-SUBSTITUTED TETRAHYDRO-CARBOLINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USES THEREOF | ALBANY MOLECULAR RESEARCH, INC. (US) | 2012-06-21 | — | — | US | disclosed |
| EP-2448585-A1 | AZINONE-SUBSTITUTED AZEPINO[B]INDOLE AND PYRIDO-PYRROLO-AZEPINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF | Albany Molecular Research, Inc. (US) | 2012-05-09 | — | — | EP | disclosed |
| US-20110003793-A1 | AZINONE-SUBSTITUTED AZEPINO[b]INDOLE AND PYRIDO-PYRROLO-AZEPINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF | ALBANY MOLECULAR RESEARCH, INC. (US) | 2011-01-06 | — | — | US | disclosed |
| WO-2011003005-A1 | AZINONE-SUBSTITUTED AZEPINO[B]INDOLE AND PYRIDO-PYRROLO-AZEPINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF | ALBANY MOLECULAR RESEARCH, INC. (US) | 2011-01-06 | — | — | 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 (2 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-20110003793-A1 | AZINONE-SUBSTITUTED AZEPINO[b]INDOLE AND PYRIDO-PYRROLO-AZEPINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF | MCHR1, MCHR2, HTR1E | HRH1 229/4885HRH3 282/4885ALDH1A1 223/4885 |
| US-20120157469-A1 | PIPERAZINONE-SUBSTITUTED TETRAHYDRO-CARBOLINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USES THEREOF | MCHR1, MCHR2, MC1R | HRH1 49/4885HRH3 64/4885ALDH1A1 736/4885 |
“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.