SCHEMBL2247669

SCHEMBL2247669

COC(=O)c1ccc(C2(c3ccc(C#Cc4ccc(F)cc4)c([N+](=O)[O-])c3)CCC(C(F)(F)F)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 4/20 0.43
HPGD P15428 2/20 0.35
RORC P51449 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 1/20 0.34
GRM5 P41594 1/20 0.33
VCAM1 P19320 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
SCHEMBL2248675 0.86 P2RY6 (0.36) P2RY6HPGDRORCALDH1A1GRM5
SCHEMBL2247705 0.83 HPGD (0.40) P2RY6HPGDSMN1; SMN2ALDH1A1VCAM1
SCHEMBL2250878 0.75 P2RY6 (0.39) P2RY6HPGDSMN1; SMN2ALDH1A1
SCHEMBL2246402 0.73 RXRA (0.41) SMN1; SMN2ALDH1A1
SCHEMBL2250158 0.73 CA1 (0.51) HPGDRORCSMN1; SMN2ALDH1A1
SCHEMBL2246709 0.71 MAPK13 (0.38) RORCALDH1A1
SCHEMBL2246685 0.70 MAPT (0.52) HPGDSMN1; SMN2ALDH1A1
SCHEMBL2245921 0.69 MAOB (0.52) GRM5
SCHEMBL28041879 0.69 VCAM1 (0.52) HPGDSMN1; SMN2ALDH1A1VCAM1
SCHEMBL2244057 0.68 STS (0.44) RORCSMN1; SMN2ALDH1A1

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 P2RY6 338/4885HPGD 777/4885RORC 784/4885

“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.