SCHEMBL4635975

SCHEMBL4635975

CC(C)c1ccc2[nH]c(=O)n(C3CCN(C(=O)OC(C)(C)C)CC3)c2c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
NPC1 O15118 1/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
RAB9A P51151 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
OPRM1 P35372 12/20 0.50
CCR5 P51681 2/20 0.50
CHRM2 P08172 1/20 0.48
CHRM4 P08173 1/20 0.48
CHRM5 P08912 1/20 0.48
CHRM1 P11229 1/20 0.48
CHRM3 P20309 1/20 0.48
HSD11B1 P28845 3/20 0.46
OPRD1 P41143 1/20 0.46
OPRK1 P41145 1/20 0.46
KDM4E B2RXH2 1/20 0.43
THRB P10828 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 0.87 OPRM1 (0.52) MAPTALDH1A1OPRM1CCR5CHRM2
SCHEMBL603516 0.86 OPRM1 (0.59) MAPTOPRM1CCR5CHRM2CHRM4
SCHEMBL28706667 0.85 OPRM1 (0.57) MAPTOPRM1CCR5CHRM2CHRM4
SCHEMBL31192530 0.85 CHRM1 (0.51) OPRM1CCR5CHRM2CHRM4CHRM5
SCHEMBL8710318 0.85 CHRM1 (0.51) OPRM1CCR5CHRM2CHRM4CHRM5
SCHEMBL4636659 0.85 OPRM1 (0.53) MAPTOPRM1CCR5CHRM2CHRM4
SCHEMBL22587914 0.84 HSD11B1 (0.56) ALDH1A1HTTOPRM1CCR5CHRM2
SCHEMBL4667693 0.84 CCR5 (0.51) MAPTOPRM1CCR5CHRM2CHRM4
SCHEMBL4635947 0.84 CCR5 (0.49) ALDH1A1OPRM1CCR5CHRM2CHRM4
SCHEMBL22605673 0.84 HSD11B1 (0.56) MAPK1HTTOPRM1CCR5CHRM2

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 MAPT 2221/4885NPC1 1396/4885ALDH1A1 839/4885

“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.