SCHEMBL1176161

SCHEMBL1176161

CC(C)CN1CCn2c(-c3ccccc3)nc(C(=O)NC(C)c3ccccc3)c2C1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.47
GAA P10253 1/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 5/20 0.41
MAPK1 P28482 1/20 0.41
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
PHGDH O43175 1/20 0.40
HTR1A P08908 2/20 0.40
DRD2 P14416 2/20 0.40
HTR7 P34969 2/20 0.40
HTR6 P50406 2/20 0.40
TACR3 P29371 2/20 0.40
TRPV4 Q9HBA0 2/20 0.39
TACR2 P21452 1/20 0.39
ITGA4 P13612 1/20 0.39
ITGB7 P26010 1/20 0.39

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
SCHEMBL1176158 1.00 CNR2 (0.47) CNR2GAANPC1ALDH1A1MAPK1
SCHEMBL1174760 0.91 CNR2 (0.48) CNR2GAANPC1ALDH1A1MAPK1
SCHEMBL1174757 0.91 CNR2 (0.48) CNR2GAANPC1ALDH1A1MAPK1
SCHEMBL1174648 0.89 CNR2 (0.48) CNR2GAANPC1ALDH1A1MAPK1
SCHEMBL1174651 0.89 CNR2 (0.48) CNR2GAANPC1ALDH1A1MAPK1
SCHEMBL1174726 0.88 CNR2 (0.52) CNR2GAAALDH1A1TACR3TACR2
SCHEMBL1174725 0.88 CNR2 (0.52) CNR2GAAALDH1A1TACR3TACR2
SCHEMBL1175186 0.88 CNR2 (0.52) CNR2GAAALDH1A1TACR3TACR2
SCHEMBL1175453 0.85 CNR2 (0.46) CNR2GAAALDH1A1POLBTRPV4
SCHEMBL1174170 0.85 CNR2 (0.49) CNR2GAAALDH1A1TACR3TACR2

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 4090/4885NPC1 369/4885
US-20110034443-A1 USES OF SUBSTITUTED IMIDAZOHETEROCYCLES CNR2, CNR1, TRPV1 CNR2 1/4885GAA 3789/4885NPC1 266/4885
US-20080318935-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CNR1, CNR2, TRPV1 CNR2 2/4885GAA 4090/4885NPC1 369/4885

“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.