SCHEMBL4114705

SCHEMBL4114705

CN1CCCn2c(-c3cc(C(F)(F)F)ccc3F)nc(C(=O)NC(C(=O)N3CC(F)(F)C3)C(C)(C)C)c2C1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.53
ENPP2 Q13822 12/20 0.36
SLC6A9 P48067 2/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 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
SCHEMBL4114702 1.00 CNR2 (0.53) CNR2ENPP2SLC6A9CYP2C9CYP2C19
SCHEMBL4113832 0.95 CNR2 (0.51) CNR2ENPP2CYP2C9CYP2C19
SCHEMBL4113834 0.95 CNR2 (0.51) CNR2ENPP2CYP2C9CYP2C19
SCHEMBL4122979 0.91 CNR2 (0.55) CNR2
SCHEMBL4113778 0.91 CNR2 (0.54) CNR2
SCHEMBL4113782 0.91 CNR2 (0.54) CNR2
SCHEMBL4121485 0.90 CNR2 (0.53) CNR2ENPP2
SCHEMBL4121488 0.90 CNR2 (0.53) CNR2ENPP2
SCHEMBL4128310 0.89 CNR2 (0.55) CNR2
SCHEMBL1174078 0.88 CNR2 (0.68) CNR2

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 2/4885ENPP2 1038/4885SLC6A9 2237/4885

“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.