SCHEMBL4121804

SCHEMBL4121804

CN1CCCn2c(-c3ccc(F)c(F)c3)nc(C(=O)NC(C(=O)N3CC(F)(F)C3)C(C)(C)C)c2C1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.59
GRIN2B Q13224 3/20 0.34
LMNA P02545 3/20 0.34
GRIN1 Q05586 1/20 0.34
TP53 P04637 3/20 0.34
THRB P10828 2/20 0.34
STAT6 P42226 1/20 0.33
POLB P06746 1/20 0.32
CNR1 P21554 1/20 0.32
CCR1 P32246 1/20 0.32
HSP90AA1 P07900 1/20 0.32

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
SCHEMBL4121799 1.00 CNR2 (0.59) CNR2GRIN2BLMNAGRIN1TP53
SCHEMBL4110861 0.94 CNR2 (0.57) CNR2GRIN2BLMNAGRIN1TP53
SCHEMBL4110865 0.94 CNR2 (0.57) CNR2GRIN2BLMNAGRIN1TP53
SCHEMBL4113770 0.92 CNR2 (0.63) CNR2LMNATP53THRBPOLB
SCHEMBL4113766 0.92 CNR2 (0.63) CNR2LMNATP53THRBPOLB
SCHEMBL13798915 0.90 CNR2 (0.63) CNR2GRIN2BLMNAGRIN1TP53
SCHEMBL14888088 0.90 CNR2 (0.63) CNR2GRIN2BLMNAGRIN1TP53
SCHEMBL4128310 0.89 CNR2 (0.55) CNR2STAT6CCR1
SCHEMBL4126659 0.89 CNR2 (0.59) CNR2GRIN2BLMNATP53THRB
SCHEMBL4122979 0.89 CNR2 (0.55) CNR2TP53THRBCNR1CCR1

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 2 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-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 2/4885GRIN2B 596/4885LMNA 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.