SCHEMBL603516

SCHEMBL603516

Cc1ccc2[nH]c(=O)n(C3CCN(C(=O)OC(C)(C)C)CC3)c2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.59
OPRD1 P41143 2/20 0.59
OPRK1 P41145 2/20 0.59
CHRM1 P11229 5/20 0.57
CHRM2 P08172 2/20 0.57
CHRM4 P08173 2/20 0.57
CHRM5 P08912 2/20 0.57
CHRM3 P20309 2/20 0.57
KCNH2 Q12809 1/20 0.57
CCR5 P51681 2/20 0.52
TNKS O95271 1/20 0.50
PARP1 P09874 1/20 0.50
PARP2 Q9UGN5 1/20 0.50
CACNA1F O60840 1/20 0.48
ADRA1D P25100 1/20 0.48
HTR7 P34969 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA1B P35368 1/20 0.48
OPRL1 P41146 1/20 0.48
CACNA1D Q01668 1/20 0.48

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
SCHEMBL4749263 0.94 OPRM1 (0.53) OPRM1OPRD1OPRK1CHRM1CHRM2
SCHEMBL29198147 0.91 CHRM1 (0.53) OPRM1OPRD1OPRK1CHRM1CHRM2
SCHEMBL28706667 0.88 OPRM1 (0.57) OPRM1OPRD1OPRK1CHRM1CHRM2
SCHEMBL31192530 0.88 CHRM1 (0.51) OPRM1OPRD1OPRK1CHRM1CHRM2
SCHEMBL4636659 0.88 OPRM1 (0.53) OPRM1OPRD1OPRK1CHRM1CHRM2
SCHEMBL8710318 0.88 CHRM1 (0.51) OPRM1OPRD1OPRK1CHRM1CHRM2
SCHEMBL8863984 0.88 CHRM1 (0.60) OPRM1OPRD1OPRK1CHRM1CHRM2
SCHEMBL22587914 0.87 HSD11B1 (0.56) OPRM1OPRD1OPRK1CHRM1CHRM2
SCHEMBL4667693 0.87 CCR5 (0.51) OPRM1OPRD1OPRK1CHRM1CHRM2
SCHEMBL4668824 0.87 CHRM1 (0.70) OPRM1OPRD1OPRK1CHRM1CHRM2

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2004182-B1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LTD (GB) 2013-05-08 EP disclosed
EP-2004182-B1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LTD (GB) 2013-05-08 EP disclosed
US-20120316202-A1 Compounds which have activity at M1 receptor and their uses in medicine GLAXO GROUP LIMITED 2012-12-13 US disclosed
US-20120041028-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED 2012-02-16 US disclosed
US-20120041028-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED 2012-02-16 US disclosed
US-20120041028-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED 2012-02-16 US disclosed
US-20100280071-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2010-11-04 US disclosed
US-20100280071-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2010-11-04 US disclosed
US-20100280071-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2010-11-04 US disclosed
EP-2004182-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-12-24 EP disclosed
WO-2008119711-A1 SUBSTITUTED BENZIMIDAZOLONE COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-10-09 WO disclosed
WO-2008119711-A1 SUBSTITUTED BENZIMIDAZOLONE COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-10-09 WO disclosed
WO-2008119719-A1 1- (1-CYCLOHEXYL-4-PIPERIDINYL) -1, 3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE DERIVATIVES WHICH HAVE ACTIVITY ON THE M1 RECEPTOR AND THEIR USE IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-10-09 WO disclosed
WO-2008119719-A1 1- (1-CYCLOHEXYL-4-PIPERIDINYL) -1, 3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE DERIVATIVES WHICH HAVE ACTIVITY ON THE M1 RECEPTOR AND THEIR USE IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-10-09 WO disclosed
WO-2008119717-A1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-10-09 WO disclosed
WO-2008119716-A1 1- (1-CYCLOHEXYL-4-PIPERIDINYL) -1, 3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE DERIVATIVES WHICH HAVE ACTIVITY ON THE M1 RECEPTOR AND THEIR USE IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-10-09 WO disclosed
WO-2008119714-A1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-10-09 WO disclosed
WO-2008119717-A1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-10-09 WO disclosed
WO-2007107565-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2007-09-27 WO disclosed
WO-2007107565-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2007-09-27 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 (3 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-20120041028-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE CHRM1, CHRM2, CHRM4 OPRM1 20/4885OPRD1 91/4885OPRK1 126/4885
US-20100280071-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE CHRM1, CHRM2, CHRM4 OPRM1 20/4885OPRD1 91/4885OPRK1 126/4885
US-20120316202-A1 Compounds which have activity at M1 receptor and their uses in medicine CHRM1, CHRM2, CHRM5 OPRM1 8/4885OPRD1 60/4885OPRK1 27/4885

“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.