SCHEMBL4120766

SCHEMBL4120766

CN1CCCn2c(-c3cc(F)ccc3F)nc(C(=O)N[C@H](C(=O)NCCF)C(C)(C)C)c2C1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.57
THRB P10828 3/20 0.37
TP53 P04637 3/20 0.37
CNR1 P21554 2/20 0.35
BLM P54132 1/20 0.34
KIF11 P52732 1/20 0.34
KCNH2 Q12809 1/20 0.34
LMNA P02545 3/20 0.33
CTSA P10619 3/20 0.32
MAP3K14 Q99558 1/20 0.32
GPR6 P46095 2/20 0.31
MMP1 P03956 1/20 0.31
MMP3 P08254 1/20 0.31
CSNK1D P48730 1/20 0.31
CSNK1E P49674 1/20 0.31
BRD4 O60885 1/20 0.31
CREBBP Q92793 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
SCHEMBL4120770 1.00 CNR2 (0.57) CNR2THRBTP53CNR1BLM
SCHEMBL4122152 0.94 CNR2 (0.57) CNR2THRBTP53CNR1BLM
SCHEMBL4122148 0.94 CNR2 (0.57) CNR2THRBTP53CNR1BLM
SCHEMBL4108150 0.93 CNR2 (0.56) CNR2THRBTP53CNR1LMNA
SCHEMBL4108148 0.93 CNR2 (0.56) CNR2THRBTP53CNR1LMNA
SCHEMBL4121825 0.92 CNR2 (0.59) CNR2THRBTP53CNR1BLM
SCHEMBL4121831 0.92 CNR2 (0.59) CNR2THRBTP53CNR1BLM
SCHEMBL4113752 0.91 CNR2 (0.55) CNR2THRBTP53CNR1LMNA
SCHEMBL4113748 0.91 CNR2 (0.55) CNR2THRBTP53CNR1LMNA
SCHEMBL4121072 0.91 CNR2 (0.57) CNR2THRBTP53CNR1BLM

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 2/4885THRB 1718/4885TP53 4585/4885

“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.