SCHEMBL4120604

SCHEMBL4120604

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

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.40
DYRK1A Q13627 3/20 0.33
GSK3B P49841 2/20 0.33
WNT1 P04628 2/20 0.32
HSP90AA1 P07900 1/20 0.31
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
SCHEMBL4120609 1.00 CNR2 (0.40) CNR2DYRK1AGSK3BWNT1HSP90AA1
SCHEMBL4113697 0.91 CNR2 (0.38) CNR2DYRK1AGSK3BWNT1HSP90AA1
SCHEMBL4113703 0.91 CNR2 (0.38) CNR2DYRK1AGSK3BWNT1HSP90AA1
SCHEMBL4113665 0.88 CNR2 (0.41) CNR2ACKR3GUCY1B2GUCY1A2GUCY1A1
SCHEMBL4113668 0.88 CNR2 (0.41) CNR2ACKR3GUCY1B2GUCY1A2GUCY1A1
SCHEMBL1174239 0.86 CNR2 (0.45) CNR2DYRK1AGSK3BWNT1
SCHEMBL1174243 0.86 CNR2 (0.45) CNR2DYRK1AGSK3BWNT1
SCHEMBL4111019 0.86 CNR2 (0.38) CNR2DYRK1AGSK3B
SCHEMBL4128374 0.86 CNR2 (0.36) CNR2
SCHEMBL4128376 0.86 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 2/4885DYRK1A 1807/4885GSK3B 3020/4885

“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.