SCHEMBL4120751

SCHEMBL4120751

CCN1CCCn2c(-c3ccc(F)c(F)c3)nc(C(=O)N[C@H](C(=O)NC)C(C)(C)C)c2C1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.62
CNR1 P21554 6/20 0.42
LMNA P02545 2/20 0.37
TP53 P04637 4/20 0.37
THRB P10828 2/20 0.37
MMP13 P45452 2/20 0.36
MMP2 P08253 1/20 0.36
MMP8 P22894 1/20 0.36
BLM P54132 1/20 0.36
POLB P06746 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL4120761 1.00 CNR2 (0.62) CNR2CNR1LMNATP53THRB
SCHEMBL1175630 0.90 CNR2 (0.77) CNR2CNR1LMNATP53THRB
SCHEMBL1175632 0.90 CNR2 (0.77) CNR2CNR1LMNATP53THRB
SCHEMBL4125569 0.89 CNR2 (0.57) CNR2CNR1
SCHEMBL4125566 0.89 CNR2 (0.57) CNR2CNR1
SCHEMBL343249 0.89 CNR2 (0.50) CNR2CNR1MMP13MMP2MMP8
SCHEMBL10091413 0.89 CNR2 (0.50) CNR2CNR1MMP13MMP2MMP8
SCHEMBL343248 0.89 CNR2 (0.50) CNR2CNR1MMP13MMP2MMP8
SCHEMBL343247 0.89 CNR2 (0.50) CNR2CNR1MMP13MMP2MMP8
SCHEMBL4118104 0.88 CNR2 (0.57) 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 7 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-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 1/4885LMNA 3582/4885

“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.