SCHEMBL1174537

SCHEMBL1174537

CNC(=O)C(CC(C)C)NC(=O)c1nc(-c2ccc(F)c(F)c2)n2c1CN(C)CC2

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.51
CTSK P43235 5/20 0.37
HMGCR P04035 1/20 0.35
CNR1 P21554 1/20 0.35
CTSL P07711 4/20 0.34
CTSS P25774 4/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TP53 P04637 1/20 0.34
THRB P10828 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
CTSB P07858 1/20 0.34
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33

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
SCHEMBL1174532 1.00 CNR2 (0.51) CNR2CTSKHMGCRCNR1CTSL
SCHEMBL1175353 0.95 CNR2 (0.59) CNR2CTSKHMGCRCNR1CTSL
SCHEMBL1175356 0.95 CNR2 (0.59) CNR2CTSKHMGCRCNR1CTSL
SCHEMBL1174314 0.93 CNR2 (0.49) CNR2CTSKCTSLCTSSSMN1; SMN2
SCHEMBL1174319 0.93 CNR2 (0.49) CNR2CTSKCTSLCTSSSMN1; SMN2
SCHEMBL10091032 0.88 CNR2 (0.43) CNR2CTSKHMGCRCNR1CTSL
SCHEMBL1175591 0.88 CNR2 (0.65) CNR2CTSKCNR1CTSLCTSS
SCHEMBL1175590 0.88 CNR2 (0.65) CNR2CTSKCNR1CTSLCTSS
SCHEMBL1175046 0.88 CNR2 (0.56) CNR2CTSKCNR1CTSLCTSS
SCHEMBL1175050 0.88 CNR2 (0.56) CNR2CTSKCNR1CTSLCTSS

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 2/4885CTSK 1747/4885HMGCR 1977/4885
US-20110034443-A1 USES OF SUBSTITUTED IMIDAZOHETEROCYCLES CNR2, CNR1, TRPV1 CNR2 1/4885CTSK 1589/4885HMGCR 932/4885
US-20080318935-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CNR1, CNR2, TRPV1 CNR2 2/4885CTSK 1747/4885HMGCR 1977/4885

“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.