SCHEMBL2969357

SCHEMBL2969357

Cc1ccc2[nH]c(=O)n(C(C)C)c2c1C

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
PGR P06401 12/20 0.43
MAOB P27338 1/20 0.41
DAO P14920 2/20 0.40
CYP3A4 P08684 1/20 0.36
CYP2B6 P20813 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
B3GNT2 Q9NY97 1/20 0.35

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
SCHEMBL20079386 0.83 PGR (0.54) POLBPGRMAOBDAOCYP3A4
SCHEMBL9995469 0.79 DAO (0.60) POLBPGRMAOBDAOCYP3A4
SCHEMBL22972503 0.77 PDE3B (0.49) PGRMAOBDAOPDE3BPDE3A
SCHEMBL20079380 0.75 DAO (0.58) POLBPGRMAOBDAOCYP3A4
SCHEMBL25352500 0.72 PGR (0.46) POLBPGRMAOBCYP3A4CYP2B6
SCHEMBL29703148 0.72 PGR (0.46) POLBPGRMAOBCYP3A4CYP2B6
SCHEMBL20656323 0.70 PGR (0.50) POLBPGRMAOBDAOALDH1A1
SCHEMBL25352403 0.69 PGR (0.41) POLBPGRMAOBDAOCYP3A4
SCHEMBL20079382 0.69 PGR (0.55) POLBPGRMAOBDAOCYP3A4
SCHEMBL20079384 0.69 PGR (0.58) POLBPGRMAOBDAOALDH1A1

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
EP-1664036-B1 BENZIMIDAZOLONE COMPOUNDS HAVING 5-HT4 RECEPTOR AGONISTIC ACTIVITY PFIZER (US) 2011-12-28 EP disclosed
US-20100273794-A1 Benzimidazolone Compounds Having 5-HT4 Receptor Agonistic Activity PFIZER INC. (US) 2010-10-28 US disclosed
US-7776885-B2 Benzimidazolone compounds having 5-HT4 receptor agonistic activity PFIZER, INC. (US) 2010-08-17 US disclosed
EP-1664036-A1 BENZIMIDAZOLONE COMPOUNDS HAVING 5-HT4 RECEPTOR AGONISTIC ACTIVITY Pfizer, Inc. (US) 2006-06-07 EP disclosed
US-20050148573-A1 Benzimidazolone compounds having 5-HT4 receptor agonistic activity PFIZER INC. 2005-07-07 US disclosed
WO-2005021539-A1 BENZIMIDAZOLONE COMPOUNDS HAVING 5-HT4 RECEPTOR AGONISTIC ACTIVITY PFIZER JAPAN, INC. (JP) 2005-03-10 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 (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-20050148573-A1 Benzimidazolone compounds having 5-HT4 receptor agonistic activity HTR4, GPR4, HTR5A POLB 4732/4885PGR 2397/4885MAOB 1273/4885
US-20100273794-A1 Benzimidazolone Compounds Having 5-HT4 Receptor Agonistic Activity HTR4, GPR4, HTR5A POLB 4732/4885PGR 2397/4885MAOB 1273/4885

“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.