SCHEMBL2250708

SCHEMBL2250708

COC(=O)c1ccc(C2(c3ccc(OCC4CCCCC4)c(Br)c3)CC3CCC2C3)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 10/20 0.41
ADAM17 P78536 2/20 0.39
FAAH O00519 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
PDE4B Q07343 2/20 0.37
CCNB2 O95067 1/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CCNA1 P78396 1/20 0.37
CCNB3 Q8WWL7 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
SCN5A Q14524 1/20 0.36
SCN9A Q15858 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL2247411 0.88 XDH (0.46) ALOX5APPDE4BPDE4APDE4CPDE4D
SCHEMBL2244092 0.85 THRA (0.38) ALOX5APFAAHCNR1CNR2PDE4B
SCHEMBL2247662 0.81 ALOX5AP (0.45) ALOX5AP
SCHEMBL2251856 0.80 ALOX5AP (0.43) ALOX5AP
SCHEMBL7323001 0.80 PARP15 (0.46) PDE4BCCNB2CDK1CCNB1CCNA2
SCHEMBL12920589 0.76 CA1 (0.51) ALOX5APCNR2
SCHEMBL12920594 0.76 CA1 (0.51) ALOX5APCNR2
SCHEMBL977249 0.76 CA1 (0.51) ALOX5APCNR2
SCHEMBL2243343 0.75 THRA (0.47) ALOX5APFAAHCNR1CNR2
SCHEMBL1871388 0.74 PDE4B (0.47) CNR2PDE4BPDE4APDE4CPDE4D

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-7989472-B2 Glucagon receptor antagonist compounds, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. (US) 2011-08-02 US disclosed
US-20090209564-A1 Glucagon Receptor Antagonist Compounds, Compositions Containing Such Compounds And Methods Of Use MERCK & CO., INC. 2009-08-20 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-20090209564-A1 Glucagon Receptor Antagonist Compounds, Compositions Containing Such Compounds And Methods Of Use GCGR, GLP1R, GPR119 ALOX5AP 1311/4885ADAM17 2963/4885FAAH 938/4885

“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.