SCHEMBL1174525

SCHEMBL1174525

CC(=O)N1CCn2c(-c3ccccc3)nc(C(=O)NC(C)c3ccccc3)c2C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.51
GAA P10253 1/20 0.43
ALDH1A1 P00352 5/20 0.42
PHGDH O43175 2/20 0.42
POLB P06746 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.41
PDE2A O00408 2/20 0.41
TACR3 P29371 1/20 0.41
NPC1 O15118 1/20 0.40
MAPK1 P28482 3/20 0.40
LMNA P02545 1/20 0.40
ROCK2 O75116 1/20 0.40
RPS6KA5 O75582 1/20 0.40
MAP4K4 O95819 1/20 0.40
CDK1 P06493 1/20 0.40
CSF1R P07333 1/20 0.40
PRKACA P17612 1/20 0.40
FLT1 P17948 1/20 0.40
RPS6KB1 P23443 1/20 0.40

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
SCHEMBL1174523 1.00 CNR2 (0.51) CNR2GAAALDH1A1PHGDHPOLB
SCHEMBL15234349 0.93 CNR2 (0.49) CNR2GAAALDH1A1PHGDHPOLB
SCHEMBL15234332 0.93 CNR2 (0.49) CNR2GAAALDH1A1PHGDHPOLB
SCHEMBL1175791 0.90 CNR2 (0.47) CNR2GAAALDH1A1PHGDHPOLB
SCHEMBL1175788 0.90 CNR2 (0.47) CNR2GAAALDH1A1PHGDHPOLB
SCHEMBL1174937 0.90 CNR2 (0.47) CNR2GAAALDH1A1PHGDHPOLB
SCHEMBL1174940 0.90 CNR2 (0.47) CNR2GAAALDH1A1PHGDHPOLB
SCHEMBL1174957 0.88 CNR2 (0.46) CNR2GAAALDH1A1PHGDHPOLB
SCHEMBL1174959 0.88 CNR2 (0.46) CNR2GAAALDH1A1PHGDHPOLB
SCHEMBL1175251 0.87 CNR2 (0.47) CNR2GAAALDH1A1POLBKMT2A

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 8 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
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 2/4885GAA 4090/4885ALDH1A1 1759/4885
US-20110034443-A1 USES OF SUBSTITUTED IMIDAZOHETEROCYCLES CNR2, CNR1, TRPV1 CNR2 1/4885GAA 3789/4885ALDH1A1 2355/4885
US-20080318935-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CNR1, CNR2, TRPV1 CNR2 2/4885GAA 4090/4885ALDH1A1 1759/4885

“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.