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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 15/20 | 0.61 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | SMO | Q99835 | 1/20 | 0.38 |
| ▸ | MOGAT2 | Q3SYC2 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL3505518 | 0.81 | CCR5 (0.69) | CCR5P2RX7OPRM1SMOCYP3A4 | |
| SCHEMBL3505956 | 0.81 | CCR5 (0.50) | CCR5OPRM1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL2453491 | 0.77 | CCR5 (0.49) | CCR5OPRM1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL3505727 | 0.77 | CCR5 (0.61) | CCR5P2RX7OPRM1SMOMOGAT2 | |
| SCHEMBL6012520 | 0.76 | CCR5 (0.98) | CCR5CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL6012919 | 0.76 | CCR5 (0.98) | CCR5CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL6012611 | 0.76 | CCR5 (0.98) | CCR5CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL6012844 | 0.76 | CCR5 (0.86) | CCR5CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL2456243 | 0.76 | CCR5 (0.61) | CCR5CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL6012774 | 0.75 | CCR5 (0.85) | CCR5CYP3A4CYP2D6CYP2C9 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2364982-A1 | Spiro-piperidine compounds as chemokine receptor antagonists and medicinal use thereof | ONO Pharmaceutical Co., Ltd. (JP) | 2011-09-14 | — | — | EP | disclosed |
| US-20100261641-A1 | SPIRO-PIPERIDINE COMPOUNDS AND MEDICINAL USE THEREOF | ONO PHARMACEUTICAL CO., LTD. (JP) | 2010-10-14 | — | — | US | disclosed |
| US-7498323-B2 | Spiro-piperidine compounds and medicinal use thereof | ONO PHARMACEUTICALS CO., LTD. (JP) | 2009-03-03 | — | — | US | disclosed |
| US-20060229301-A1 | Spiro-piperidine compounds and medicinal use thereof | ONO PHARMACEUTICAL CO., LTD. (JP) | 2006-10-12 | — | — | US | disclosed |
| EP-1619193-A1 | SPIROPIPERIDINE COMPOUND AND MEDICINAL USE THEREOF | ONO PHARMACEUTICAL CO., LTD. (JP) | 2006-01-25 | — | — | EP | 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-20100261641-A1 | SPIRO-PIPERIDINE COMPOUNDS AND MEDICINAL USE THEREOF | CCR1, CCR7, CCR3 | CCR5 6/4885P2RX7 624/4885OPRM1 436/4885 |
| US-20060229301-A1 | Spiro-piperidine compounds and medicinal use thereof | CCR1, CCR7, CCR3 | CCR5 6/4885P2RX7 624/4885OPRM1 436/4885 |
“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.