SCHEMBL4122443

SCHEMBL4122443

CN1CCCn2c(-c3cc(Cl)ccc3F)nc(C(=O)NC(CN)C(C)(C)C)c2C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.49
TP53 P04637 3/20 0.36
LMNA P02545 3/20 0.36
THRB P10828 3/20 0.36
POLB P06746 1/20 0.35
MME P08473 4/20 0.35
GPR6 P46095 3/20 0.34
F2 P00734 2/20 0.34
F10 P00742 2/20 0.34
PRSS1 P07477 2/20 0.34
PRSS2 P07478 2/20 0.34
PRSS3 P35030 2/20 0.34
SGK1 O00141 1/20 0.34
ROCK2 O75116 1/20 0.34
PRKD3 O94806 1/20 0.34
LATS1 O95835 1/20 0.34
PRKCG P05129 1/20 0.34
PRKCB P05771 1/20 0.34
PRKCA P17252 1/20 0.34
PRKACA P17612 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
SCHEMBL4115566 1.00 CNR2 (0.49) CNR2TP53LMNATHRBPOLB
SCHEMBL4122982 0.91 CNR2 (0.49) CNR2TP53LMNATHRBPOLB
SCHEMBL4121999 0.89 CNR2 (0.47) CNR2TP53LMNATHRBPOLB
SCHEMBL4122005 0.89 CNR2 (0.47) CNR2TP53LMNATHRBPOLB
SCHEMBL4115665 0.88 CNR2 (0.46) CNR2TP53LMNATHRBPOLB
SCHEMBL1175120 0.87 CNR2 (0.56) CNR2TP53LMNATHRBPOLB
SCHEMBL1175117 0.87 CNR2 (0.56) CNR2TP53LMNATHRBPOLB
SCHEMBL4121609 0.86 CNR2 (0.49) CNR2TP53LMNATHRB
SCHEMBL4117364 0.86 CNR2 (0.47) CNR2TP53LMNATHRBPOLB
SCHEMBL4117361 0.86 CNR2 (0.47) 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 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 2/4885TP53 4585/4885LMNA 3582/4885

“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.