Acetic Acid

Acetic Acid

SCHEMBL4106325

CC(=O)O.O=S(=O)(c1cccc(F)c1)n1cc(N2CCNCC2)c2ncccc21

nearest known ligand 0.60

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 20)

geneUniProtsupporting neighboursconfidence
ADRA2A known ✓ P08913 1/20 0.46
ADRA2B known ✓ P18089 1/20 0.46
OPRK1 known ✓ P41145 1/20 0.46
HTR6 P50406 20/20 0.60
HTR1A P08908 2/20 0.49
DRD2 P14416 2/20 0.49
HTR7 P34969 2/20 0.49
HTR2C P28335 2/20 0.47
CYP1A2 P05177 1/20 0.46
ADRB1 P08588 1/20 0.46
CYP3A4 P08684 1/20 0.46
CHRM1 P11229 1/20 0.46
SLC6A2 P23975 1/20 0.46
HTR1B P28222 1/20 0.46
HTR2A P28223 1/20 0.46
CYP2C19 P33261 1/20 0.46
HRH1 P35367 1/20 0.46
OPRM1 P35372 1/20 0.46
DRD3 P35462 1/20 0.46
HTR2B P41595 1/20 0.46

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
SCHEMBL3623752 0.94 HTR6 (0.64) HTR6HTR1ADRD2HTR7HTR2C
Hydrochloric Acid SCHEMBL3612369 0.92 HTR6 (0.62) HTR6HTR1ADRD2HTR7HTR2C
Phosphoric Acid SCHEMBL3622373 0.92 HTR6 (0.59) HTR6HTR1ADRD2HTR7HTR2C
SCHEMBL3609416 0.87 HTR6 (0.52) HTR6HTR1ADRD2HTR7HTR2C
SCHEMBL3622612 0.84 HTR6 (0.53) HTR6HTR1ADRD2HTR7HTR2C
SCHEMBL3624898 0.84 HTR6 (0.60) HTR6HTR2CHTR2A
SCHEMBL3214889 0.83 HTR6 (0.49) HTR6HTR2C
SCHEMBL3175968 0.83 HTR6 (0.51) HTR6HTR1ADRD2HTR7HTR2C
SCHEMBL3182512 0.83 HTR6 (0.51) HTR6HTR1ADRD2HTR7HTR2C
SCHEMBL3179623 0.83 HTR6 (0.51) HTR6HTR1ADRD2HTR7HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069337-A1 3' SUBSTITUTED COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2009-03-12 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090069337-A1 3' SUBSTITUTED COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY HTR6, HTR3A, HTR3B ADRA2A 41/4885ADRA2B 60/4885OPRK1 30/4885

“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.