SCHEMBL10244402

SCHEMBL10244402

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

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRL1 P41146 1/20 0.32
HRH3 Q9Y5N1 5/20 0.32
EPHX2 P34913 1/20 0.32
TLR7 Q9NYK1 1/20 0.31
DPP4 P27487 2/20 0.31
ADRB2 P07550 2/20 0.31
CCR2 P41597 2/20 0.30
KCNH2 Q12809 2/20 0.30
OPRK1 P41145 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
SCHEMBL602277 0.93 OPRM1 (0.34) OPRM1OPRD1OPRL1HRH3EPHX2
SCHEMBL602278 0.93 OPRM1 (0.34) OPRM1OPRD1OPRL1HRH3EPHX2
SCHEMBL602337 0.89 PIK3CA (0.33) HRH3TLR7
SCHEMBL603224 0.89 PIK3CA (0.33) HRH3TLR7
SCHEMBL602338 0.89 PIK3CA (0.33) HRH3TLR7
SCHEMBL10190299 0.86 ALOX15 (0.33) HRH3
SCHEMBL601450 0.85 MAPK1 (0.41) HRH3EPHX2
SCHEMBL601451 0.85 MAPK1 (0.41) HRH3EPHX2
SCHEMBL601485 0.84 ALOX15 (0.33) HRH3
SCHEMBL600696 0.84 ALOX15 (0.33) HRH3

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
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-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

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.