SCHEMBL641604

SCHEMBL641604

COc1cccc(C(C(=O)N2CCN(C3CCN(C)CC3)CC2)n2c(=O)[nH]c3ccc(Cl)cc32)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CBX7 O95931 1/20 0.43
CDYL2 Q8N8U2 1/20 0.43
CDYL Q9Y232 1/20 0.43
CDY1; CDY1B Q9Y6F8 1/20 0.43
HSD11B1 P28845 3/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CHRM1 P11229 4/20 0.40
F10 P00742 1/20 0.38
CALCRL Q16602 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
OPRM1 P35372 3/20 0.37
HTR3A P46098 1/20 0.37
HTR4 Q13639 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
HRH4 Q9H3N8 1/20 0.36

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
SCHEMBL641501 0.89 F10 (0.46) CHRM1F10OPRM1
SCHEMBL641177 0.86 CHRM1 (0.45) CHRM1F10CALCRLOPRM1
SCHEMBL640105 0.86 DRD2 (0.42) CBX7CDYL2CDYLCDY1; CDY1BHSD11B1
SCHEMBL639676 0.85 CHRM1 (0.41) HSD11B1CHRM1F10CALCRLKDM4E
SCHEMBL641609 0.82 CHRM1 (0.49) CHRM1F10OPRM1
SCHEMBL641212 0.82 CHRM1 (0.47) CHRM1CALCRLOPRM1
SCHEMBL643017 0.82 ROCK2 (0.52) CBX7CDYL2CDYLCDY1; CDY1BKMT2A
SCHEMBL639650 0.80 F10 (0.46) CHRM1F10OPRM1
SCHEMBL641312 0.80 ALDH1A1 (0.38) KMT2AMEN1CHRM1F10KDM4E
SCHEMBL640231 0.79 CHRM1 (0.42) KMT2AMEN1CHRM1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119676-B2 Substituted benzimidazolone derivatives, medicaments comprising them and their use Abbott GmbH & Co. HG (DE) 2012-02-21 US disclosed
US-20100152168-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE ABBOTT GMBH & CO. KG (DE) 2010-06-17 US disclosed
EP-2061769-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE Abbott GmbH & Co. KG (DE) 2009-05-27 EP disclosed
WO-2008025736-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE ABBOTT GMBH & CO. KG (DE) 2008-03-06 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 (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-20100152168-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A CBX7 4425/4885CDYL2 3970/4885CDYL 4272/4885

“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.