SCHEMBL4635947

SCHEMBL4635947

CC(C)(C)OC(=O)N1CCC(n2c(=O)[nH]c3ccc(OC(F)F)cc32)CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 2/20 0.49
OPRM1 P35372 4/20 0.49
CHRM2 P08172 1/20 0.47
CHRM4 P08173 1/20 0.47
CHRM5 P08912 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
HSD11B1 P28845 8/20 0.45
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45
PDE4D Q08499 1/20 0.44
TNKS O95271 1/20 0.43
PARP1 P09874 1/20 0.43
PARP2 Q9UGN5 1/20 0.43
ALDH1A1 P00352 1/20 0.43
PIK3CA P42336 1/20 0.43
MTOR P42345 1/20 0.43
PRKDC P78527 1/20 0.43

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
SCHEMBL4636465 0.91 OPRM1 (0.52) CCR5OPRM1CHRM2CHRM4CHRM5
SCHEMBL605123 0.90 OPRM1 (0.54) CCR5OPRM1CHRM2CHRM4CHRM5
SCHEMBL22587914 0.89 HSD11B1 (0.56) CCR5OPRM1CHRM2CHRM4CHRM5
SCHEMBL31192530 0.86 CHRM1 (0.51) CCR5OPRM1CHRM2CHRM4CHRM5
SCHEMBL8710318 0.86 CHRM1 (0.51) CCR5OPRM1CHRM2CHRM4CHRM5
SCHEMBL603516 0.85 OPRM1 (0.59) CCR5OPRM1CHRM2CHRM4CHRM5
SCHEMBL22605843 0.85 CCR5 (0.47) CCR5OPRM1CHRM2CHRM4CHRM5
SCHEMBL22605673 0.84 HSD11B1 (0.56) CCR5OPRM1CHRM2CHRM4CHRM5
SCHEMBL4635975 0.84 MAPT (0.51) CCR5OPRM1CHRM2CHRM4CHRM5
SCHEMBL4636659 0.84 OPRM1 (0.53) CCR5OPRM1CHRM2CHRM4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288413-B2 Benzimidazolones which have activity at M1 receptor GLAXO GROUP LIMITED (GB) 2012-10-16 US disclosed
US-8288413-B2 Benzimidazolones which have activity at M1 receptor GLAXO GROUP LIMITED (GB) 2012-10-16 US disclosed
US-8288413-B2 Benzimidazolones which have activity at M1 receptor GLAXO GROUP LIMITED (GB) 2012-10-16 US disclosed
US-20080306112-A1 Benzimidazolones Which Have Activity at M1 Receptor GLAXO GROUP LIMITED (GB) 2008-12-11 US disclosed
US-20080306112-A1 Benzimidazolones Which Have Activity at M1 Receptor GLAXO GROUP LIMITED (GB) 2008-12-11 US disclosed
US-20080306112-A1 Benzimidazolones Which Have Activity at M1 Receptor GLAXO GROUP LIMITED (GB) 2008-12-11 US disclosed
EP-1937670-A1 BENZIMIDAZOLONES WHICH HAVE ACTIVITY AT M1 RECEPTOR GLAXO GROUP LIMITED (GB) 2008-07-02 EP disclosed
WO-2007036711-A1 BENZIMIDAZOLONES WHICH HAVE ACTIVITY AT Ml RECEPTOR GLAXO GROUP LIMITED (GB) 2007-04-05 WO disclosed
WO-2007036711-A1 BENZIMIDAZOLONES WHICH HAVE ACTIVITY AT Ml RECEPTOR GLAXO GROUP LIMITED (GB) 2007-04-05 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-20080306112-A1 Benzimidazolones Which Have Activity at M1 Receptor CHRM1, CHRM2, CHRM4 CCR5 467/4885OPRM1 11/4885CHRM2 2/4885

“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.