SCHEMBL4116388

SCHEMBL4116388

CN1CCCn2c(-c3cc(F)c(F)cc3F)nc(C(=O)N[C@H](C(=O)O)C(C)(C)C)c2C1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.61
GAA P10253 1/20 0.32
MAP3K14 Q99558 4/20 0.32
TP53 P04637 2/20 0.31
THRB P10828 2/20 0.31
BLM P54132 1/20 0.31
CA2 P00918 1/20 0.30
PYGL P06737 1/20 0.30
CYP2C9 P11712 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
SCHEMBL1175735 0.91 CNR2 (0.58) CNR2MAP3K14
SCHEMBL1175738 0.91 CNR2 (0.58) CNR2MAP3K14
SCHEMBL4125559 0.91 CNR2 (0.61) CNR2MAP3K14TP53THRBBLM
SCHEMBL1175743 0.91 CNR2 (0.72) CNR2
SCHEMBL4125563 0.91 CNR2 (0.61) CNR2MAP3K14TP53THRBBLM
SCHEMBL4122489 0.91 CNR2 (0.57) CNR2MAP3K14TP53THRBBLM
SCHEMBL4123007 0.91 CNR2 (0.59) CNR2MAP3K14TP53THRBBLM
SCHEMBL1175744 0.91 CNR2 (0.72) CNR2
SCHEMBL4123013 0.91 CNR2 (0.59) CNR2MAP3K14TP53THRBBLM
SCHEMBL4117135 0.90 CNR2 (0.58) CNR2GAAMAP3K14TP53THRB

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 2/4885GAA 4090/4885MAP3K14 1172/4885

“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.