SCHEMBL4122489

SCHEMBL4122489

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

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.57
CNR1 P21554 7/20 0.35
DPP4 P27487 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
TP53 P04637 3/20 0.32
THRB P10828 1/20 0.32
BLM P54132 1/20 0.32
MAP3K14 Q99558 2/20 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
SCHEMBL4116388 0.91 CNR2 (0.61) CNR2TP53THRBBLMMAP3K14
SCHEMBL1174859 0.90 CNR2 (0.56) CNR2CNR1TP53THRB
SCHEMBL1174862 0.90 CNR2 (0.56) CNR2CNR1TP53THRB
SCHEMBL1175738 0.90 CNR2 (0.58) CNR2CNR1MAP3K14
SCHEMBL1175735 0.90 CNR2 (0.58) CNR2CNR1MAP3K14
SCHEMBL4123007 0.89 CNR2 (0.59) CNR2CNR1DPP4TP53THRB
SCHEMBL4123013 0.89 CNR2 (0.59) CNR2CNR1DPP4TP53THRB
SCHEMBL4125563 0.89 CNR2 (0.61) CNR2CNR1TP53THRBBLM
SCHEMBL1175743 0.89 CNR2 (0.72) CNR2CNR1
SCHEMBL4125559 0.89 CNR2 (0.61) CNR2CNR1TP53THRBBLM

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 2/4885CNR1 1/4885DPP4 4359/4885

“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.