SCHEMBL4128376

SCHEMBL4128376

Cc1nnc(C(NC(=O)c2nc(-c3cc(F)c(F)cc3F)n3c2CN(Cc2ccco2)CC3)C(C)(C)C)o1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.36
SRPK1 Q96SB4 5/20 0.34
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HRH3 Q9Y5N1 3/20 0.31
CLPP Q16740 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
SCHEMBL4128374 1.00 CNR2 (0.36) CNR2SRPK1KMT2AMEN1ALDH1A1
SCHEMBL4120609 0.86 CNR2 (0.40) CNR2
SCHEMBL4117067 0.84 CNR2 (0.49) CNR2SRPK1KMT2AMEN1ALDH1A1
SCHEMBL4117072 0.84 CNR2 (0.49) CNR2SRPK1KMT2AMEN1ALDH1A1
SCHEMBL4111022 0.84 CNR2 (0.38) CNR2
SCHEMBL4111019 0.84 CNR2 (0.38) CNR2
SCHEMBL4113668 0.83 CNR2 (0.41) CNR2
SCHEMBL4113697 0.80 CNR2 (0.38) CNR2
SCHEMBL4113703 0.80 CNR2 (0.38) CNR2
SCHEMBL1174243 0.76 CNR2 (0.45) CNR2ALDH1A1

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 2/4885SRPK1 4200/4885KMT2A 2931/4885

“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.