SCHEMBL1174435

SCHEMBL1174435

CNC(=O)C(CC(C)C)NC(=O)c1nc(-c2cc(Cl)ccc2F)n2c1CN(C)CCC2

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.53
CTSL P07711 3/20 0.38
CTSS P25774 2/20 0.38
CTSK P43235 2/20 0.38
PSMB5 P28074 2/20 0.37
TP53 P04637 2/20 0.36
THRB P10828 1/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SLC10A1 Q14973 1/20 0.36
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL1174432 1.00 CNR2 (0.53) CNR2CTSLCTSSCTSKPSMB5
SCHEMBL1174040 0.95 CNR2 (0.53) CNR2CTSLCTSSCTSKPSMB5
SCHEMBL1174043 0.95 CNR2 (0.53) CNR2CTSLCTSSCTSKPSMB5
SCHEMBL1175319 0.93 CNR2 (0.54) CNR2CTSLCTSSCTSKTP53
SCHEMBL1175322 0.93 CNR2 (0.54) CNR2CTSLCTSSCTSKTP53
SCHEMBL1175728 0.91 CNR2 (0.46) CNR2TP53THRBPOLBLMNA
SCHEMBL1175731 0.91 CNR2 (0.46) CNR2TP53THRBPOLBLMNA
SCHEMBL1176109 0.90 CNR2 (0.51) CNR2CTSLCTSSCTSKSLC10A1
SCHEMBL1176108 0.90 CNR2 (0.51) CNR2CTSLCTSSCTSKSLC10A1
SCHEMBL1175285 0.90 CNR2 (0.56) CNR2TP53THRBPOLBSLC10A1

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 2/4885CTSL 3000/4885CTSS 1411/4885
US-20110034443-A1 USES OF SUBSTITUTED IMIDAZOHETEROCYCLES CNR2, CNR1, TRPV1 CNR2 1/4885CTSL 2912/4885CTSS 1219/4885
US-20080318935-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CNR1, CNR2, TRPV1 CNR2 2/4885CTSL 3000/4885CTSS 1411/4885

“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.