SCHEMBL1173899

SCHEMBL1173899

CC(NC(=O)c1nc(-c2ccccc2)n2c1CN(CCO)CC2)C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 7/20 0.47
TACR3 P29371 7/20 0.47
OPRM1 P35372 4/20 0.47
CNR2 P34972 5/20 0.47
GAA P10253 1/20 0.45
NTRK1 P04629 1/20 0.42
PPARG P37231 1/20 0.41
RIPK1 Q13546 1/20 0.39
CNR1 P21554 2/20 0.39
CYP2C9 P11712 1/20 0.39
EPHX2 P34913 1/20 0.38

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
SCHEMBL1173898 1.00 TACR2 (0.47) TACR2TACR3OPRM1CNR2GAA
SCHEMBL1175231 0.91 TACR2 (0.49) TACR2TACR3OPRM1CNR2GAA
SCHEMBL1175230 0.91 TACR2 (0.49) TACR2TACR3OPRM1CNR2GAA
SCHEMBL1174348 0.90 TACR2 (0.48) TACR2TACR3OPRM1CNR2GAA
SCHEMBL1174346 0.90 TACR2 (0.48) TACR2TACR3OPRM1CNR2GAA
SCHEMBL1174831 0.86 GAA (0.48) TACR2TACR3OPRM1CNR2GAA
SCHEMBL15234204 0.85 CNR2 (0.48) TACR2TACR3OPRM1CNR2GAA
SCHEMBL15234397 0.85 CNR2 (0.48) TACR2TACR3OPRM1CNR2GAA
SCHEMBL1174157 0.84 CNR2 (0.49) TACR2TACR3OPRM1CNR2GAA
SCHEMBL1174159 0.84 CNR2 (0.49) TACR2TACR3OPRM1CNR2GAA

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 TACR2 157/4885TACR3 364/4885OPRM1 16/4885
US-20110034443-A1 USES OF SUBSTITUTED IMIDAZOHETEROCYCLES CNR2, CNR1, TRPV1 TACR2 192/4885TACR3 326/4885OPRM1 105/4885
US-20080318935-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CNR1, CNR2, TRPV1 TACR2 157/4885TACR3 364/4885OPRM1 16/4885

“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.