SCHEMBL4669587

SCHEMBL4669587

CCOC(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1

nearest known ligand 0.91

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 4/20 0.91
CHRM2 P08172 1/20 0.91
CHRM4 P08173 1/20 0.91
CHRM5 P08912 1/20 0.91
CHRM3 P20309 1/20 0.91
ALDH1A1 P00352 3/20 0.65
OPRM1 P35372 3/20 0.63
HTR1A P08908 1/20 0.63
ADORA3 P0DMS8 1/20 0.63
TACR2 P21452 1/20 0.63
DRD1 P21728 1/20 0.63
DRD5 P21918 1/20 0.63
SLC6A2 P23975 1/20 0.63
ADRA1D P25100 1/20 0.63
HTR1B P28222 1/20 0.63
TSPO P30536 1/20 0.63
ADORA1 P30542 1/20 0.63
ADRA1A P35348 1/20 0.63
ADRA1B P35368 1/20 0.63
AVPR1A P37288 1/20 0.63

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
SCHEMBL6580373 0.96 CHRM1 (1.00) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL13243429 0.91 CHRM1 (0.88) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL13243457 0.91 CHRM1 (0.88) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL3003287 0.91 CHRM1 (0.88) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL8976698 0.90 CHRM1 (0.76) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL8976707 0.90 CHRM1 (0.76) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL3633996 0.88 CHRM1 (0.72) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL3635261 0.87 CHRM1 (0.72) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL3636439 0.87 CHRM1 (0.71) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL13243420 0.87 CHRM1 (0.71) CHRM1CHRM2CHRM4CHRM5CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1997805-A1 Compounds with antiparasitic activity, applications thereof to the treatment of infectious diseases caused by apicomplexans Commissariat à l'Energie Atomique (FR) 2008-12-03 EP claimed
EP-1997381-A1 Use of a compound having a monogalactosyldiacylglycerol synthase inhibitory activity as herbicide or algaecide, herbicide and algaecide compositions Commissariat à l'Energie Atomique (FR) 2008-12-03 EP claimed
EP-2160098-B9 USE OF COMPOUNDS HAVING A MONOGALACTOSYLDIACYLGLYCEROL SYNTHASE INHIBITORY ACTIVITY AS HERBICIDE OR ALGAECIDE, HERBICIDE AND ALGAECIDE COMPOSITIONS COMMISSARIAT ENERGIE ATOMIQUE (FR) 2011-05-18 EP disclosed
EP-2160098-B1 USE OF COMPOUNDS HAVING A MONOGALACTOSYLDIACYLGLYCEROL SYNTHASE INHIBITORY ACTIVITY AS HERBICIDE OR ALGAECIDE, HERBICIDE AND ALGAECIDE COMPOSITIONS COMMISSARIAT ENERGIE ATOMIQUE (FR) 2010-11-10 EP disclosed
US-20100144591-A1 BENZIMIDAZOLE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION 2010-06-10 US disclosed
US-20100144591-A1 BENZIMIDAZOLE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION 2010-06-10 US disclosed
EP-1997381-A1 Use of a compound having a monogalactosyldiacylglycerol synthase inhibitory activity as herbicide or algaecide, herbicide and algaecide compositions Commissariat à l'Energie Atomique (FR) 2008-12-03 EP disclosed
EP-1997805-A1 Compounds with antiparasitic activity, applications thereof to the treatment of infectious diseases caused by apicomplexans Commissariat à l'Energie Atomique (FR) 2008-12-03 EP disclosed
EP-1997805-A1 Compounds with antiparasitic activity, applications thereof to the treatment of infectious diseases caused by apicomplexans Commissariat à l'Energie Atomique (FR) 2008-12-03 EP disclosed
WO-2008108958-A2 BENZIMIDAZOLE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2008-09-12 WO disclosed
EP-1499316-B1 (1-4-PIPERIDINYL)BENZIMIDAZOLE DERIVATIVES USEFUL AS HISTAMINE H3 ANTAGONISTS SCHERING CORP (US) 2008-03-19 EP 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-20100144591-A1 BENZIMIDAZOLE DERIVATIVES AND METHODS OF USE THEREOF GPR119, GK, GCK CHRM1 3554/4885CHRM2 3806/4885CHRM4 3198/4885

“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.