SCHEMBL4121488

SCHEMBL4121488

CN1CCCn2c(-c3cc(C(F)(F)F)ccc3F)nc(C(=O)NC(C(=O)N3CCOCC3)C(C)(C)C)c2C1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.53
STAT6 P42226 1/20 0.38
TACR1 P25103 2/20 0.37
ENPP2 Q13822 2/20 0.37
USP2 O75604 1/20 0.36
PKM P14618 1/20 0.36
TRPV4 Q9HBA0 2/20 0.36
WDR5 P61964 1/20 0.35
EPHX2 P34913 1/20 0.35
RAF1 P04049 4/20 0.34
BRAF P15056 4/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
CTSA P10619 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
SCHEMBL4121485 1.00 CNR2 (0.53) CNR2STAT6TACR1ENPP2USP2
SCHEMBL4121005 0.92 CNR2 (0.55) CNR2STAT6WDR5
SCHEMBL4121009 0.92 CNR2 (0.55) CNR2STAT6WDR5
SCHEMBL4115433 0.91 CNR2 (0.54) CNR2STAT6EPHX2KDM4E
SCHEMBL4115431 0.91 CNR2 (0.54) CNR2STAT6EPHX2KDM4E
SCHEMBL4114702 0.90 CNR2 (0.53) CNR2ENPP2
SCHEMBL4114705 0.90 CNR2 (0.53) CNR2ENPP2
SCHEMBL4117052 0.90 CNR2 (0.55) CNR2STAT6TACR1
SCHEMBL4117055 0.90 CNR2 (0.55) CNR2STAT6TACR1
SCHEMBL1174080 0.89 CNR2 (0.68) CNR2TRPV4CTSA

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 2 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-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 2/4885STAT6 588/4885TACR1 132/4885

“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.