SCHEMBL4117162

SCHEMBL4117162

CNC(=O)[C@@H](NC(=O)c1nc(-c2ccc(C(F)(F)F)cc2F)n2c1CN(C)CC2)C(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.60
CNR1 P21554 7/20 0.44
PDE2A O00408 1/20 0.35
TRPV4 Q9HBA0 1/20 0.35
MMP13 P45452 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 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
SCHEMBL4117167 1.00 CNR2 (0.60) CNR2CNR1PDE2ATRPV4MMP13
SCHEMBL1174864 0.95 CNR2 (0.68) CNR2CNR1PDE2ATRPV4MMP2
SCHEMBL1174867 0.95 CNR2 (0.68) CNR2CNR1PDE2ATRPV4MMP2
SCHEMBL1174336 0.93 CNR2 (0.60) CNR2CNR1TRPV4MMP13
SCHEMBL1174338 0.93 CNR2 (0.60) CNR2CNR1TRPV4MMP13
SCHEMBL1175649 0.90 CNR2 (0.63) CNR2CNR1MMP13MMP2MMP3
SCHEMBL1175651 0.90 CNR2 (0.63) CNR2CNR1MMP13MMP2MMP3
SCHEMBL1174861 0.90 CNR2 (0.63) CNR2CNR1
SCHEMBL1174856 0.90 CNR2 (0.63) CNR2CNR1
SCHEMBL13798775 0.89 CNR2 (0.59) CNR2CNR1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8431565-B2 Substituted imidazoheterocycles CARA THERAPEUTICS, INC. (US) 2013-04-30 US disclosed
US-8431565-B2 Substituted imidazoheterocycles CARA THERAPEUTICS, INC. (US) 2013-04-30 US disclosed
US-8431565-B2 Substituted imidazoheterocycles CARA THERAPEUTICS, INC. (US) 2013-04-30 US disclosed
US-20090149450-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CARA THERAPEUTICS, INC. (US) 2009-06-11 US disclosed
US-20090149450-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CARA THERAPEUTICS, INC. (US) 2009-06-11 US disclosed
US-20090149450-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CARA THERAPEUTICS, INC. (US) 2009-06-11 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 (1 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 2/4885CNR1 1/4885PDE2A 3749/4885

“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.