SCHEMBL4119824

SCHEMBL4119824

Cc1cc(F)c(-c2nc(C(=O)N[C@H](C(=O)N3CCC(F)(F)C3)C(C)(C)C)c3n2CCCN(C)C3)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.49
DPP4 P27487 2/20 0.33
DPP7 Q9UHL4 2/20 0.33
VHL P40337 5/20 0.31
ELOC Q15369 4/20 0.31
ELOB Q15370 4/20 0.31
DHODH Q02127 1/20 0.31
STAT6 P42226 1/20 0.31
KCNH2 Q12809 1/20 0.31
MC4R P32245 1/20 0.31
CCR1 P32246 2/20 0.30
HSP90AA1 P07900 3/20 0.30
HSP90AB1 P08238 3/20 0.30

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
SCHEMBL4119832 1.00 CNR2 (0.49) CNR2DPP4DPP7VHLELOC
SCHEMBL4110956 0.95 CNR2 (0.51) CNR2VHLELOCELOBCCR1
SCHEMBL4110959 0.95 CNR2 (0.51) CNR2VHLELOCELOBCCR1
SCHEMBL4279012 0.92 CNR2 (0.53) CNR2DPP4DPP7VHLELOC
SCHEMBL4279006 0.92 CNR2 (0.53) CNR2DPP4DPP7VHLELOC
SCHEMBL4117127 0.90 CNR2 (0.52) CNR2DPP4DPP7KCNH2CCR1
SCHEMBL13798826 0.90 CNR2 (0.51) CNR2DPP4DPP7VHLELOC
SCHEMBL4121053 0.89 CNR2 (0.52) CNR2VHLELOCELOBCCR1
SCHEMBL4121049 0.89 CNR2 (0.52) CNR2VHLELOCELOBCCR1
SCHEMBL4109420 0.88 CNR2 (0.53) CNR2DPP4DPP7VHLELOC

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 2/4885DPP4 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.