SCHEMBL602277

SCHEMBL602277

CCO[C@H]1CC[C@H](N2CCC(Nc3cc(Cl)c(C(F)(F)F)cc3N)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRL1 P41146 1/20 0.34
HRH3 Q9Y5N1 8/20 0.33
CCR2 P41597 3/20 0.33
KCNH2 Q12809 3/20 0.33
EPHX2 P34913 1/20 0.33
TLR7 Q9NYK1 1/20 0.32
OPRK1 P41145 1/20 0.31
ALOX15 P16050 1/20 0.31
ALK Q9UM73 1/20 0.31
DPP4 P27487 2/20 0.30
ADRB2 P07550 1/20 0.30
SLC6A4 P31645 1/20 0.30

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
SCHEMBL602278 1.00 OPRM1 (0.34) OPRM1OPRD1OPRL1HRH3CCR2
SCHEMBL10244402 0.93 OPRM1 (0.32) OPRM1OPRD1OPRL1HRH3CCR2
SCHEMBL14413989 0.86 OPRM1 (0.36) OPRM1OPRD1OPRL1CCR2KCNH2
SCHEMBL602518 0.85 ALOX15 (0.35) HRH3ALOX15
SCHEMBL602519 0.85 ALOX15 (0.35) HRH3ALOX15
SCHEMBL13267696 0.84 HRH3 (0.36) OPRM1OPRD1OPRL1HRH3CCR2
SCHEMBL602527 0.84 MAPK1 (0.42) HRH3CCR2KCNH2EPHX2
SCHEMBL602526 0.84 MAPK1 (0.42) HRH3CCR2KCNH2EPHX2
SCHEMBL600968 0.83 ALOX15 (0.35) HRH3ALOX15
SCHEMBL600969 0.83 ALOX15 (0.35) HRH3ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1996188-B1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LTD (GB) 2013-05-15 EP disclosed
US-20120309789-A1 Compounds which have activity at M1 receptor and their uses in medicine GLAXO GROUP LIMITED 2012-12-06 US disclosed
US-20120309789-A1 Compounds which have activity at M1 receptor and their uses in medicine GLAXO GROUP LIMITED 2012-12-06 US disclosed
US-20120041027-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED 2012-02-16 US disclosed
US-20120041027-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED 2012-02-16 US disclosed
US-20100190825-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE COOPER DAVID GWYN 2010-07-29 US disclosed
US-20100190825-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE COOPER DAVID GWYN 2010-07-29 US disclosed
US-20100190825-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE COOPER DAVID GWYN 2010-07-29 US disclosed
EP-1996188-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-12-03 EP disclosed
WO-2007107566-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-20100190825-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE CHRM1, CHRM2, CHRM4 OPRM1 13/4885OPRD1 148/4885OPRL1 131/4885
US-20120041027-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE CHRM1, CHRM2, CHRM4 OPRM1 19/4885OPRD1 85/4885OPRL1 188/4885
US-20120309789-A1 Compounds which have activity at M1 receptor and their uses in medicine CHRM1, CHRM2, CHRM5 OPRM1 10/4885OPRD1 60/4885OPRL1 33/4885

“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.