SCHEMBL1676655

SCHEMBL1676655

COC(=O)CNc1ccc(Cn2cc(-c3ccc(Cl)cc3Cl)nc2C=Cc2ccc(-c3cc(C(F)(F)F)ccc3F)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GCGR P47871 12/20 0.37
CNR1 P21554 2/20 0.34
CNR2 P34972 1/20 0.34
EGFR P00533 1/20 0.34
PTGDR Q13258 1/20 0.34
KCNA3 P22001 1/20 0.33
MDM2 Q00987 1/20 0.33

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
SCHEMBL1676651 1.00 GCGR (0.37) GCGRCNR1CNR2EGFRPTGDR
SCHEMBL1676533 0.94 CNR1 (0.38) GCGRCNR1CNR2EGFRMDM2
SCHEMBL1676529 0.94 CNR1 (0.38) GCGRCNR1CNR2EGFRMDM2
SCHEMBL1676779 0.90 GCGR (0.38) GCGRPTGDR
SCHEMBL1676777 0.90 GCGR (0.38) GCGRPTGDR
SCHEMBL1676644 0.89 CNR1 (0.37) CNR1CNR2EGFRMDM2
SCHEMBL1676645 0.89 CNR1 (0.37) CNR1CNR2EGFRMDM2
SCHEMBL1676561 0.89 CNR1 (0.36) GCGRCNR1CNR2EGFRMDM2
SCHEMBL1676563 0.89 CNR1 (0.36) GCGRCNR1CNR2EGFRMDM2
SCHEMBL1676418 0.89 DRD2 (0.43) CNR1CNR2EGFRKCNA3

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-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use TRANSTECH PHARMA, INC. (US) 2011-04-21 US disclosed
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. 2005-08-25 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 (2 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-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use PTPRO, PTPN5, PTPRE GCGR 610/4885CNR1 3344/4885CNR2 3387/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE GCGR 610/4885CNR1 3344/4885CNR2 3387/4885

“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.