SCHEMBL4117364

SCHEMBL4117364

CN1CCCn2c(-c3cc(Cl)ccc3F)nc(C(=O)NC(CN3CCCC3=O)C(C)(C)C)c2C1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.47
POLB P06746 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
EPHX2 P34913 2/20 0.35
TP53 P04637 4/20 0.34
LMNA P02545 3/20 0.34
THRB P10828 2/20 0.34
KDM4E B2RXH2 1/20 0.34
SLC10A1 Q14973 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GPR6 P46095 2/20 0.33
MAPT P10636 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 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
SCHEMBL4117361 1.00 CNR2 (0.47) CNR2POLBMEN1KMT2ACYP1A2
SCHEMBL4122982 0.89 CNR2 (0.49) CNR2POLBKMT2AEPHX2TP53
SCHEMBL4122443 0.86 CNR2 (0.49) CNR2POLBTP53LMNATHRB
SCHEMBL4115566 0.86 CNR2 (0.49) CNR2POLBTP53LMNATHRB
SCHEMBL4121609 0.86 CNR2 (0.49) CNR2KMT2ATP53LMNATHRB
SCHEMBL4121604 0.86 CNR2 (0.49) CNR2KMT2ATP53LMNATHRB
SCHEMBL4121999 0.84 CNR2 (0.47) CNR2POLBTP53LMNATHRB
SCHEMBL4122005 0.84 CNR2 (0.47) CNR2POLBTP53LMNATHRB
SCHEMBL4115665 0.83 CNR2 (0.46) CNR2POLBTP53LMNATHRB
SCHEMBL1175592 0.81 CNR2 (0.70) CNR2POLBTP53LMNATHRB

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 2/4885POLB 3552/4885MEN1 3773/4885

“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.