SCHEMBL4130336

SCHEMBL4130336

CN1CCCn2c(-c3cc(Cl)ccc3F)nc(C(=O)N[C@H](C(=O)N3CCCC3)C(C)(C)C)c2C1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.57
CCR1 P32246 2/20 0.39
TP53 P04637 3/20 0.37
THRB P10828 3/20 0.37
POLB P06746 1/20 0.37
LMNA P02545 4/20 0.36
RORC P51449 1/20 0.35
CNR1 P21554 2/20 0.34
DPP4 P27487 1/20 0.34
DPP7 Q9UHL4 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
SCHEMBL4130339 1.00 CNR2 (0.57) CNR2CCR1TP53THRBPOLB
SCHEMBL4122007 0.99 CNR2 (0.58) CNR2CCR1TP53THRBPOLB
SCHEMBL4122003 0.99 CNR2 (0.58) CNR2CCR1TP53THRBPOLB
SCHEMBL4123160 0.94 CNR2 (0.57) CNR2CCR1TP53THRBPOLB
SCHEMBL4115433 0.94 CNR2 (0.54) CNR2CCR1TP53THRBPOLB
SCHEMBL4115431 0.94 CNR2 (0.54) CNR2CCR1TP53THRBPOLB
SCHEMBL4109810 0.93 CNR2 (0.53) CNR2CCR1RORCCNR1
SCHEMBL4109814 0.93 CNR2 (0.53) CNR2CCR1RORCCNR1
SCHEMBL4113782 0.92 CNR2 (0.54) CNR2CCR1TP53THRBPOLB
SCHEMBL4110264 0.92 CNR2 (0.54) CNR2CCR1TP53THRBPOLB

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 2/4885CCR1 39/4885TP53 4585/4885

“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.