SCHEMBL4115665

SCHEMBL4115665

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.46
MAPK1 P28482 1/20 0.34
TP53 P04637 4/20 0.34
LMNA P02545 4/20 0.34
THRB P10828 3/20 0.34
POLB P06746 1/20 0.33
MME P08473 1/20 0.33
GPR6 P46095 3/20 0.32
CNR1 P21554 1/20 0.32
ACVR1B P36896 1/20 0.32
TGFBR1 P36897 1/20 0.32
ACVRL1 P37023 1/20 0.32
CTSA P10619 1/20 0.31
MC4R P32245 1/20 0.31

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
SCHEMBL4121999 0.89 CNR2 (0.47) CNR2TP53LMNATHRBPOLB
SCHEMBL4122005 0.89 CNR2 (0.47) CNR2TP53LMNATHRBPOLB
SCHEMBL4115566 0.88 CNR2 (0.49) CNR2TP53LMNATHRBPOLB
SCHEMBL4122443 0.88 CNR2 (0.49) CNR2TP53LMNATHRBPOLB
SCHEMBL4122982 0.87 CNR2 (0.49) CNR2TP53LMNATHRBPOLB
SCHEMBL4117361 0.83 CNR2 (0.47) CNR2TP53LMNATHRBPOLB
SCHEMBL4121604 0.83 CNR2 (0.49) CNR2TP53LMNATHRB
SCHEMBL4117364 0.83 CNR2 (0.47) CNR2TP53LMNATHRBPOLB
SCHEMBL4121609 0.83 CNR2 (0.49) CNR2TP53LMNATHRB
SCHEMBL1175120 0.82 CNR2 (0.56) CNR2TP53LMNATHRBPOLB

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 2/4885MAPK1 664/4885TP53 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.