SCHEMBL1174508

SCHEMBL1174508

CN1CCCn2c(-c3cc(F)ccc3F)nc(C(=O)NC(CC(C)(C)C)C(N)=O)c2C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.49
CSNK1D P48730 1/20 0.35
CSNK1E P49674 1/20 0.35
TP53 P04637 3/20 0.35
THRB P10828 2/20 0.35
GAA P10253 1/20 0.34
MAP3K14 Q99558 2/20 0.33
BLM P54132 1/20 0.33
CNR1 P21554 1/20 0.33
PIK3CA P42336 1/20 0.32
CTSA P10619 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
SLC9A1 P19634 1/20 0.32
CTSL P07711 1/20 0.32
DPP4 P27487 2/20 0.32
DPP8 Q6V1X1 2/20 0.32
DPP9 Q86TI2 2/20 0.32
DPP7 Q9UHL4 2/20 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
SCHEMBL1174505 1.00 CNR2 (0.49) CNR2CSNK1DCSNK1ETP53THRB
SCHEMBL1175241 0.93 CNR2 (0.49) CNR2CSNK1DCSNK1ETP53THRB
SCHEMBL1175243 0.93 CNR2 (0.49) CNR2CSNK1DCSNK1ETP53THRB
SCHEMBL1174965 0.92 CNR2 (0.48) CNR2TP53THRBGAAMAP3K14
SCHEMBL1174961 0.92 CNR2 (0.48) CNR2TP53THRBGAAMAP3K14
SCHEMBL1176272 0.91 CNR2 (0.56) CNR2TP53THRBGAABLM
SCHEMBL1176270 0.91 CNR2 (0.56) CNR2TP53THRBGAABLM
SCHEMBL1176153 0.91 CNR2 (0.49) CNR2TP53THRBGAAMAP3K14
SCHEMBL1176151 0.91 CNR2 (0.49) CNR2TP53THRBGAAMAP3K14
SCHEMBL1176119 0.90 CNR2 (0.47) CNR2TP53THRBGAACNR1

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 2/4885CSNK1D 194/4885CSNK1E 182/4885
US-20110034443-A1 USES OF SUBSTITUTED IMIDAZOHETEROCYCLES CNR2, CNR1, TRPV1 CNR2 1/4885CSNK1D 325/4885CSNK1E 275/4885
US-20080318935-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CNR1, CNR2, TRPV1 CNR2 2/4885CSNK1D 194/4885CSNK1E 182/4885

“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.