SCHEMBL1175243

SCHEMBL1175243

CN1CCCn2c(-c3ccc(F)cc3F)nc(C(=O)NC(CC(C)(C)C)C(N)=O)c2C1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.49
PIK3CA P42336 1/20 0.38
CSNK1D P48730 1/20 0.35
CSNK1E P49674 1/20 0.35
GAA P10253 1/20 0.34
TP53 P04637 2/20 0.34
THRB P10828 2/20 0.34
GRM2 Q14416 4/20 0.33
DPP4 P27487 2/20 0.33
DPP8 Q6V1X1 1/20 0.33
MAP3K14 Q99558 2/20 0.33
MAPK14 Q16539 2/20 0.33
BLM P54132 1/20 0.33
CNR1 P21554 1/20 0.33
GPR6 P46095 2/20 0.32
GRM5 P41594 1/20 0.32

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
SCHEMBL1175241 1.00 CNR2 (0.49) CNR2PIK3CACSNK1DCSNK1EGAA
SCHEMBL1174505 0.93 CNR2 (0.49) CNR2PIK3CACSNK1DCSNK1EGAA
SCHEMBL1174508 0.93 CNR2 (0.49) CNR2PIK3CACSNK1DCSNK1EGAA
SCHEMBL1175984 0.92 CNR2 (0.47) CNR2GAATP53THRBGRM2
SCHEMBL1175990 0.92 CNR2 (0.47) CNR2GAATP53THRBGRM2
SCHEMBL1175668 0.91 CNR2 (0.56) CNR2PIK3CATP53THRBMAPK14
SCHEMBL1175667 0.91 CNR2 (0.56) CNR2PIK3CATP53THRBMAPK14
SCHEMBL1174936 0.91 CNR2 (0.47) CNR2PIK3CAGAACNR1
SCHEMBL1174933 0.91 CNR2 (0.47) CNR2PIK3CAGAACNR1
SCHEMBL1176151 0.91 CNR2 (0.49) CNR2PIK3CAGAATP53THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859538-B2 Uses of substituted imidazoheterocycles CARA THERAPEUTICS, INC. (US) 2014-10-14 US claimed
EP-2170350-B1 SUBSTITUTED IMIDAZOHETEROCYCLES CARA THERAPEUTICS INC (US) 2013-09-11 EP claimed
US-8431565-B2 Substituted imidazoheterocycles CARA THERAPEUTICS, INC. (US) 2013-04-30 US claimed
US-7517874-B2 Substituted imidazo[1,5-a][1,4]diazepines and imidazo[1,5-a]pyrazines as cannabinoid receptor agonists for the treatment of pain CARA THERAPEUTICS, INC. (US) 2009-04-14 US claimed
US-8859538-B2 Uses of substituted imidazoheterocycles CARA THERAPEUTICS, INC. (US) 2014-10-14 US disclosed
EP-2170350-B1 SUBSTITUTED IMIDAZOHETEROCYCLES CARA THERAPEUTICS INC (US) 2013-09-11 EP disclosed
US-8431565-B2 Substituted imidazoheterocycles CARA THERAPEUTICS, INC. (US) 2013-04-30 US disclosed
US-20110034443-A1 USES OF SUBSTITUTED IMIDAZOHETEROCYCLES CARA THERAPEUTICS, INC. (US) 2011-02-10 US disclosed
US-20090149450-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CARA THERAPEUTICS, INC. (US) 2009-06-11 US disclosed
US-7517874-B2 Substituted imidazo[1,5-a][1,4]diazepines and imidazo[1,5-a]pyrazines as cannabinoid receptor agonists for the treatment of pain CARA THERAPEUTICS, INC. (US) 2009-04-14 US disclosed
US-20080318935-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CARA THERAPEUTICS, INC. (US) 2008-12-25 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-20090149450-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CNR1, CNR2, TRPV1 CNR2 2/4885PIK3CA 1365/4885CSNK1D 194/4885
US-20110034443-A1 USES OF SUBSTITUTED IMIDAZOHETEROCYCLES CNR2, CNR1, TRPV1 CNR2 1/4885PIK3CA 1720/4885CSNK1D 325/4885
US-20080318935-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CNR1, CNR2, TRPV1 CNR2 2/4885PIK3CA 1365/4885CSNK1D 194/4885

“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.