SCHEMBL15526469

SCHEMBL15526469

COc1ncc(-c2ccc(C(=O)O)cc2C)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 19/20 0.53
SCN5A Q14524 3/20 0.47
ADH5 P11766 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL16659027 0.89 SCN9A (0.55) SCN9ASCN5A
SCHEMBL20794151 0.88 ADH5 (0.50) SCN9ASCN5AADH5
SCHEMBL14889895 0.84 SCN9A (0.49) SCN9ASCN5A
SCHEMBL16651019 0.84 ADH5 (0.48) SCN9AADH5
SCHEMBL15526486 0.84 ADH5 (0.48) SCN9AADH5
SCHEMBL19183526 0.83 SCN9A (0.53) SCN9ASCN5A
SCHEMBL20780261 0.82 CETP (0.44) SCN9ASCN5AADH5
SCHEMBL19183560 0.81 SCN9A (0.46) SCN9ASCN5A
SCHEMBL20794132 0.79 CETP (0.62) SCN5A
SCHEMBL20613143 0.78 CETP (0.58) SCN5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9353101-B2 Cyclic amine substituted heterocyclic CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2016-05-31 US disclosed
EP-2934519-A1 THERAPEUTIC THIAZOLIDINONE COMPOUNDS Merck Sharp & Dohme Corp. (US) 2015-10-28 EP disclosed
US-20150111866-A1 CYCLIC AMINE SUBSTITUTED HETEROCYCLIC CETP INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-04-23 US disclosed
EP-2844252-A1 CYCLIC AMINE SUBSTITUTED HETEROCYCLIC CETP INHIBITORS Merck Sharp & Dohme Corp. (US) 2015-03-11 EP disclosed
WO-2014099834-A1 THERAPEUTIC THIAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2014-06-26 WO disclosed
WO-2013165854-A1 CYCLIC AMINE SUBSTITUTED HETEROCYCLIC CETP INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-11-07 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 (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-20150111866-A1 CYCLIC AMINE SUBSTITUTED HETEROCYCLIC CETP INHIBITORS CETP, APOB, MTTP SCN9A 2592/4885SCN5A 2838/4885ADH5 1825/4885

“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.