SCHEMBL4125725

SCHEMBL4125725

CN1CCCn2c(-c3cc(Cl)ccc3F)nc(C(=O)N[C@H](C(=O)N3CC[C@@H](F)C3)C(C)(C)C)c2C1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.53
DPP4 P27487 10/20 0.40
DPP7 Q9UHL4 9/20 0.40
CCR1 P32246 2/20 0.39
DPP9 Q86TI2 3/20 0.37
DPP8 Q6V1X1 3/20 0.37
RORC P51449 1/20 0.36
GPR6 P46095 3/20 0.34
TP53 P04637 1/20 0.33
THRB P10828 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
SCHEMBL4113701 1.00 CNR2 (0.53) CNR2DPP4DPP7CCR1DPP9
SCHEMBL4113698 1.00 CNR2 (0.53) CNR2DPP4DPP7CCR1DPP9
SCHEMBL4127101 0.95 CNR2 (0.54) CNR2DPP4DPP7CCR1RORC
SCHEMBL4127106 0.95 CNR2 (0.54) CNR2DPP4DPP7CCR1RORC
SCHEMBL4109367 0.93 CNR2 (0.52) CNR2DPP4DPP7CCR1RORC
SCHEMBL4117125 0.93 CNR2 (0.52) CNR2DPP4DPP7CCR1RORC
SCHEMBL4109364 0.93 CNR2 (0.52) CNR2DPP4DPP7CCR1RORC
SCHEMBL4108146 0.93 CNR2 (0.52) CNR2DPP4DPP7CCR1RORC
SCHEMBL4109814 0.92 CNR2 (0.53) CNR2CCR1RORCGPR6
SCHEMBL4109810 0.92 CNR2 (0.53) CNR2CCR1RORCGPR6

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 2/4885DPP4 4359/4885DPP7 3990/4885

“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.