Acetic Acid

Acetic Acid

SCHEMBL4690607

CC(=O)O.Cc1ccc(N(C(=O)c2ccco2)C2CCN(CCCc3ccccc3NC(=O)CCC3CCCCC3)CC2)cc1

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

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 5)

geneUniProtsupporting neighboursconfidence
OPRK1 known ✓ P41145 4/20 0.51
OPRM1 P35372 9/20 0.51
OPRD1 P41143 4/20 0.51
CHRM2 P08172 1/20 0.47
CHRM3 P20309 1/20 0.47

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL4689712 0.98 OPRM1 (0.51) OPRM1OPRD1OPRK1CHRM2CHRM3
Butyric Acid SCHEMBL4690032 0.95 OPRM1 (0.49) OPRM1OPRD1OPRK1CHRM2CHRM3
Acetic Acid SCHEMBL4689830 0.89 OPRM1 (0.56) OPRM1OPRD1OPRK1CHRM2CHRM3
SCHEMBL4687881 0.88 OPRM1 (0.44) OPRM1OPRD1OPRK1CHRM2CHRM3
SCHEMBL4690342 0.88 OPRM1 (0.62) OPRM1OPRD1OPRK1CHRM2CHRM3
SCHEMBL4690702 0.86 OPRM1 (0.56) OPRM1OPRD1OPRK1CHRM2CHRM3
Acetic Acid SCHEMBL4686568 0.86 OPRM1 (0.51) OPRM1OPRD1OPRK1CHRM2CHRM3
SCHEMBL4691923 0.85 OPRM1 (0.53) OPRM1OPRD1OPRK1CHRM2CHRM3
SCHEMBL4691422 0.84 OPRM1 (0.44) OPRM1OPRD1OPRK1CHRM2CHRM3
SCHEMBL4690841 0.84 OPRM1 (0.51) OPRM1OPRD1OPRK1CHRM2CHRM3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1443046-B1 NOVEL 4-(2FUROYL)AMINOPIPERIDINES, INTERMEDIATES IN SYNTHESIZING THE SAME, PROCESS FOR PRODUCING THE SAME AND MEDICINAL USE OF THE SAME KYORIN SEIYAKU KK (JP) 2008-12-17 EP disclosed
US-20080194826-A1 Novel 4-(2-furoyl) aminopiperidienes, intermediates for synthesizing the same, processes for preparing the same and medicinal use of the same KYORIN PHARMACEUTICAL CO., LTD. 2008-08-14 US disclosed
US-7375115-B2 4-(2-furoyl) aminopiperidines, intermediates in synthesizing the same, process for producing the same and medicinal use of the same KYORIN PHARMACEUTICAL CO., LTD. (JP) 2008-05-20 US disclosed
US-20050085508-A1 Novel 4-(2-furoyl) aminopiperidines, intermediates in synthesizing the same, process for producing the same and medicinal use of the same KYORIN PHARMACEUTICAL CO., LTD. (JP) 2005-04-21 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 (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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080194826-A1 Novel 4-(2-furoyl) aminopiperidienes, intermediates for synthesizing the same, processes for preparing the same and medicinal use of the same CYP4F2, CYP1A2, CYP4B1 OPRK1 717/4885OPRM1 250/4885OPRD1 522/4885
US-20050085508-A1 Novel 4-(2-furoyl) aminopiperidines, intermediates in synthesizing the same, process for producing the same and medicinal use of the same OPRM1, OPRD1, HRH4 OPRK1 5/4885OPRM1 1/4885OPRD1 2/4885

“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.