SCHEMBL4114907

SCHEMBL4114907

CNC(=O)[C@@H](NC(=O)c1nc(-c2cc(F)c(F)cc2F)n2c1CN(Cc1cnn(C)c1)CCC2)C(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.53
GRM2 Q14416 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GSK3B P49841 7/20 0.36
DYRK1A Q13627 7/20 0.36
CLK2 P49760 1/20 0.36
CLK3 P49761 1/20 0.36
CNR1 P21554 4/20 0.34
WDR5 P61964 1/20 0.32
WNT1 P04628 1/20 0.32

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
SCHEMBL4114913 1.00 CNR2 (0.53) CNR2GRM2TDP1GSK3BDYRK1A
SCHEMBL4119539 0.89 CNR2 (0.52) CNR2DYRK1ACNR1WNT1
SCHEMBL4119535 0.89 CNR2 (0.52) CNR2DYRK1ACNR1WNT1
SCHEMBL4109323 0.88 CNR2 (0.61) CNR2CNR1
SCHEMBL4109327 0.88 CNR2 (0.61) CNR2CNR1
SCHEMBL4125566 0.86 CNR2 (0.57) CNR2CNR1
SCHEMBL4125569 0.86 CNR2 (0.57) CNR2CNR1
SCHEMBL4115485 0.85 CNR2 (0.47) CNR2DYRK1ACNR1WNT1
SCHEMBL4115477 0.85 CNR2 (0.47) CNR2DYRK1ACNR1WNT1
SCHEMBL1175743 0.84 CNR2 (0.72) CNR2CNR1

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 2/4885GRM2 843/4885TDP1 4682/4885

“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.