SCHEMBL4121309

SCHEMBL4121309

CCNC(=O)C(NC(=O)c1nc(-c2cc(Cl)c(F)cc2F)n2c1CN(CC)CCC2)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.46
PDE4B Q07343 5/20 0.37
PDE4A P27815 4/20 0.37
PDE4C Q08493 4/20 0.37
PDE4D Q08499 4/20 0.36
CNR1 P21554 1/20 0.34
TP53 P04637 4/20 0.33
THRB P10828 3/20 0.33
SLC10A1 Q14973 2/20 0.32
LMNA P02545 3/20 0.32
MAP3K14 Q99558 1/20 0.31
BLM P54132 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 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
SCHEMBL4121301 1.00 CNR2 (0.46) CNR2PDE4BPDE4APDE4CPDE4D
SCHEMBL4113842 0.93 CNR2 (0.54) CNR2PDE4BPDE4APDE4CPDE4D
SCHEMBL4113838 0.93 CNR2 (0.54) CNR2PDE4BPDE4APDE4CPDE4D
SCHEMBL4117281 0.92 CNR2 (0.56) CNR2PDE4BPDE4APDE4CPDE4D
SCHEMBL4117277 0.92 CNR2 (0.56) CNR2PDE4BPDE4APDE4CPDE4D
SCHEMBL4119817 0.87 CNR2 (0.41) CNR2PDE4BPDE4APDE4CPDE4D
SCHEMBL4119821 0.87 CNR2 (0.41) CNR2PDE4BPDE4APDE4CPDE4D
SCHEMBL4109957 0.86 CNR2 (0.55) CNR2PDE4BPDE4APDE4CPDE4D
SCHEMBL4109953 0.86 CNR2 (0.55) CNR2PDE4BPDE4APDE4CPDE4D
SCHEMBL4125566 0.85 CNR2 (0.57) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8431565-B2 Substituted imidazoheterocycles CARA THERAPEUTICS, INC. (US) 2013-04-30 US claimed
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 2/4885PDE4B 3700/4885PDE4A 3286/4885

“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.