SCHEMBL4110865

SCHEMBL4110865

CN1CCCn2c(-c3ccc(F)c(F)c3)nc(C(=O)NC(C(=O)N3CCC(F)(F)C3)C(C)(C)C)c2C1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.57
DPP4 P27487 5/20 0.36
DPP7 Q9UHL4 4/20 0.36
KCNH2 Q12809 1/20 0.36
STAT6 P42226 1/20 0.34
LMNA P02545 2/20 0.33
TP53 P04637 2/20 0.33
THRB P10828 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
VHL P40337 2/20 0.32
ELOC Q15369 1/20 0.32
ELOB Q15370 1/20 0.32
GRIN2B Q13224 2/20 0.32
GRIN1 Q05586 1/20 0.32
CCR1 P32246 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
SCHEMBL4110861 1.00 CNR2 (0.57) CNR2DPP4DPP7KCNH2STAT6
SCHEMBL4121804 0.94 CNR2 (0.59) CNR2STAT6LMNATP53THRB
SCHEMBL4121799 0.94 CNR2 (0.59) CNR2STAT6LMNATP53THRB
SCHEMBL4279012 0.90 CNR2 (0.53) CNR2DPP4DPP7KCNH2STAT6
SCHEMBL4279006 0.90 CNR2 (0.53) CNR2DPP4DPP7KCNH2STAT6
SCHEMBL4115519 0.89 CNR2 (0.53) CNR2DPP4DPP7KCNH2STAT6
SCHEMBL4115512 0.89 CNR2 (0.53) CNR2DPP4DPP7KCNH2STAT6
SCHEMBL4117127 0.89 CNR2 (0.52) CNR2DPP4DPP7KCNH2TP53
SCHEMBL13798826 0.88 CNR2 (0.51) CNR2DPP4DPP7KCNH2TP53
SCHEMBL4109420 0.88 CNR2 (0.53) CNR2DPP4DPP7KCNH2STAT6

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 2/4885DPP4 4359/4885DPP7 3990/4885

“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.