SCHEMBL4113665

SCHEMBL4113665

Cc1nnc([C@H](NC(=O)c2nc(-c3cc(F)c(F)cc3F)n3c2CN(C)CC3)C(C)(C)C)o1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.41
MAP3K14 Q99558 4/20 0.30
ACKR3 P25106 1/20 0.30
GUCY1B2 O75343 1/20 0.30
GUCY1A2 P33402 1/20 0.30
GUCY1A1 Q02108 1/20 0.30
GUCY1B1 Q02153 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
SCHEMBL4113668 1.00 CNR2 (0.41) CNR2MAP3K14ACKR3GUCY1B2GUCY1A2
SCHEMBL4116320 0.88 CNR2 (0.45) CNR2
SCHEMBL4116328 0.88 CNR2 (0.45) CNR2
SCHEMBL4120609 0.88 CNR2 (0.40) CNR2ACKR3GUCY1B2GUCY1A2GUCY1A1
SCHEMBL4120604 0.88 CNR2 (0.40) CNR2ACKR3GUCY1B2GUCY1A2GUCY1A1
SCHEMBL1175441 0.84 CNR2 (0.58) CNR2
SCHEMBL1175437 0.84 CNR2 (0.58) CNR2
SCHEMBL4111022 0.84 CNR2 (0.38) CNR2MAP3K14
SCHEMBL4111019 0.84 CNR2 (0.38) CNR2MAP3K14
SCHEMBL4128376 0.83 CNR2 (0.36) CNR2

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 2/4885MAP3K14 1172/4885ACKR3 50/4885

“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.