SCHEMBL2968866

SCHEMBL2968866

CC(C)n1c(=O)[nH]c2ccc(Cl)cc21

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PGR P06401 12/20 0.72
POLB P06746 1/20 0.60
DAO P14920 1/20 0.58
MAOB P27338 1/20 0.56
MAPT P10636 1/20 0.50
THRB P10828 1/20 0.50
PSMB8 P28062 1/20 0.50
B3GNT2 Q9NY97 3/20 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
SCHEMBL7371675 0.87 MAPT (0.67) PGRPOLBDAOMAOBMAPT
SCHEMBL9598853 0.84 PGR (0.53) PGRPOLBDAOMAOBMAPT
SCHEMBL639581 0.83 DAO (0.55) PGRDAOPSMB8B3GNT2
SCHEMBL2975327 0.81 POLB (0.62) PGRPOLBDAOMAOBB3GNT2
SCHEMBL17807767 0.81 MAOB (0.68) PGRPOLBMAOBB3GNT2
SCHEMBL29414802 0.80 PGR (0.60) PGRPOLBMAOBB3GNT2
SCHEMBL29464129 0.80 PGR (0.78) PGRPOLBDAOMAOBB3GNT2
SCHEMBL2970468 0.80 PGR (0.78) PGRPOLBDAOMAOBB3GNT2
SCHEMBL20987129 0.80 PGR (0.60) PGRPOLBMAOBB3GNT2
SCHEMBL8950320 0.80 PGR (0.50) PGRPOLBDAOMAOBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3402797-B1 HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2020-02-19 EP disclosed
US-10375962-B2 Heterocycle derivatives as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-08-13 US disclosed
US-20190021329-A1 HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-01-24 US disclosed
WO-2017121674-A1 HETEROCYCLENE DERIVATIVES AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-07-20 WO disclosed
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
WO-2007022257-A2 MONOCYCLIC AND BICYCLIC COMPOUNDS AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2007-02-22 WO 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
US-5534521-A SEROTONIN ANTAGONISTS G. D. SEARLE & CO. (US) 1996-07-09 US disclosed
US-5521193-A SEROTONIN AGONISTS AND ANTAGONISTS G. D. SEARLE & CO. (US) 1996-05-28 US disclosed
US-5280028-A Containing ketone structure in position2 G. D. SEARLE & CO. (US) 1994-01-18 US disclosed
WO-1994000454-A1 BENZIMIDAZOLE COMPOUNDS G.D. SEARLE & CO. (US) 1994-01-06 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 (4 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-10375962-B2 Heterocycle derivatives as pesticides DDT, ACHE, CBR1 PGR 4183/4885POLB 4756/4885DAO 1149/4885
US-20050148573-A1 Benzimidazolone compounds having 5-HT4 receptor agonistic activity HTR4, GPR4, HTR5A PGR 2397/4885POLB 4732/4885DAO 2801/4885
US-20100273794-A1 Benzimidazolone Compounds Having 5-HT4 Receptor Agonistic Activity HTR4, GPR4, HTR5A PGR 2397/4885POLB 4732/4885DAO 2801/4885
US-20190021329-A1 HETEROCYCLE DERIVATIVES AS PESTICIDES DDT, ACHE, CBR1 PGR 4183/4885POLB 4756/4885DAO 1149/4885

“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.