Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Acetic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRK1 known ✓ | P41145 | 8/20 | 0.39 |
| ▸ | OGFRL1 | Q5TC84 | 18/20 | 0.39 |
| ▸ | OPRL1 | P41146 | 13/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 8/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 5/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL15466894 | 1.00 | OGFRL1 (0.39) | OGFRL1OPRL1OPRM1OPRK1OPRD1 | |
| Acetic Acid SCHEMBL15467220 | 0.98 | OGFRL1 (0.40) | OGFRL1OPRL1OPRM1OPRK1OPRD1 | |
| Acetic Acid SCHEMBL15467221 | 0.98 | OGFRL1 (0.40) | OGFRL1OPRL1OPRM1OPRK1OPRD1 | |
| SCHEMBL16743564 | 0.88 | OGFRL1 (0.37) | OGFRL1OPRL1OPRM1OPRK1OPRD1 | |
| SCHEMBL15858179 | 0.88 | OGFRL1 (0.37) | OGFRL1OPRL1OPRM1OPRK1OPRD1 | |
| SCHEMBL20079835 | 0.88 | OGFRL1 (0.37) | OGFRL1OPRL1OPRM1OPRK1OPRD1 | |
| Acetic Acid SCHEMBL17389315 | 0.88 | OGFRL1 (0.45) | OGFRL1OPRL1OPRM1OPRK1OPRD1 | |
| Acetic Acid SCHEMBL15467391 | 0.88 | OGFRL1 (0.45) | OGFRL1OPRL1OPRM1OPRK1OPRD1 | |
| Acetic Acid SCHEMBL17389313 | 0.88 | OGFRL1 (0.45) | OGFRL1OPRL1OPRM1OPRK1OPRD1 | |
| Acetic Acid SCHEMBL15665314 | 0.88 | OGFRL1 (0.45) | OGFRL1OPRL1OPRM1OPRK1OPRD1 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2880033-B1 | CYCLIC UREA- OR LACTAM-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND THE USES THEREOF | PURDUE PHARMA LP (US) | 2020-06-17 | — | — | EP | disclosed |
| US-9951038-B2 | Quinazolin-4(3H)-one-type piperidine compounds and uses thereof | PURDUE PHARMA L.P. (US) | 2018-04-24 | — | — | US | disclosed |
| US-9598411-B2 | Substituted benzimidazole-type piperidine compounds and uses thereof | PURDUE PHARMA L.P. (US) | 2017-03-21 | — | — | US | disclosed |
| US-20160002203-A1 | QUINAZOLIN-4(3H)-ONE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF | TADESSE DAWIT (US) | 2016-01-07 | — | — | US | disclosed |
| US-20150322066-A1 | SUBSTITUTED BENZIMIDAZOLE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF | PURDUE PHARMA L.P. | 2015-11-12 | — | — | US | disclosed |
| US-20150238485-A1 | OXIME-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AS ORL-1 MODULATORS | SHIONOGI & CO., LTD. (JP) | 2015-08-27 | — | — | US | disclosed |
| US-9090618-B2 | Substituted benzimidazole-type piperidine compounds and uses thereof | PURDUE PHARMA L.P. (US) | 2015-07-28 | — | — | US | disclosed |
| US-9085561-B2 | Cyclic urea- or lactam-substituted quinoxaline-type piperidines as ORL-1 modulators | PURDUE PHARMA L.P. (US) | 2015-07-21 | — | — | US | disclosed |
| US-9040533-B2 | Oxime-substituted-quinoxaline-type piperidine compounds as ORL-1 modulators | PURDUE PHARMA L.P. (US) | 2015-05-26 | — | — | US | disclosed |
| US-20140187535-A1 | SUBSTITUTED BENZIMIDAZOLE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF | SHIONOGI & CO., LTD. (JP) | 2014-07-03 | — | — | US | disclosed |
| US-20140187544-A1 | OXIME-SUBSTITUTED-QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF | SHIONOGI & CO., LTD. (JP) | 2014-07-03 | — | — | US | disclosed |
| US-20140045830-A1 | CYCLIC UREA- OR LACTAM-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF | SHIONOGI & CO., LTD. (JP) | 2014-02-13 | — | — | 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 (6 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-20150238485-A1 | OXIME-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AS ORL-1 MODULATORS | OPRL1, OGFRL1, OPRD1 | OPRK1 4/4885OGFRL1 2/4885OPRL1 1/4885 |
| US-20140187535-A1 | SUBSTITUTED BENZIMIDAZOLE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF | H1-0, H1-3, CACNA1A | OPRK1 27/4885OGFRL1 2889/4885OPRL1 181/4885 |
| US-20140045830-A1 | CYCLIC UREA- OR LACTAM-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF | QPCT, UBXN1, NQO2 | OPRK1 16/4885OGFRL1 2320/4885OPRL1 68/4885 |
| US-20150322066-A1 | SUBSTITUTED BENZIMIDAZOLE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF | H1-0, H1-3, CACNA1A | OPRK1 27/4885OGFRL1 2889/4885OPRL1 181/4885 |
| US-20160002203-A1 | QUINAZOLIN-4(3H)-ONE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF | OPRK1, OPRD1, P2RX4 | OPRK1 1/4885OGFRL1 1852/4885OPRL1 4/4885 |
| US-20140187544-A1 | OXIME-SUBSTITUTED-QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF | QSOX1, OPRK1, OPRD1 | OPRK1 2/4885OGFRL1 59/4885OPRL1 4/4885 |
“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.