SCHEMBL4313667

SCHEMBL4313667

COc1cnc(C2CC2)cc1CNC(=O)[C@](O)(c1ccccc1)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.37
ABCC9 O60706 1/20 0.36
ABCC8 Q09428 1/20 0.36
KCNJ11 Q14654 1/20 0.36
KCNJ8 Q15842 1/20 0.36
EPHX2 P34913 1/20 0.36
HPGD P15428 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
CNR2 P34972 1/20 0.35
BDKRB1 P46663 3/20 0.35
TRPA1 O75762 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
ROCK2 O75116 3/20 0.35
ROCK1 Q13464 3/20 0.35
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
QRFPR Q96P65 1/20 0.34

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
SCHEMBL13881866 1.00 CETP (0.37) CETPABCC9ABCC8KCNJ11KCNJ8
SCHEMBL14615245 0.86 CETP (0.37) CETPBDKRB1
SCHEMBL13881859 0.86 CETP (0.41) CETPBDKRB1
SCHEMBL4306551 0.86 CETP (0.41) CETPBDKRB1
SCHEMBL5107148 0.81 CFTR (0.44) CETP
SCHEMBL5103357 0.81 CFTR (0.44) CETP
SCHEMBL4308440 0.80 CETP (0.36) CETPBDKRB1HDAC3HDAC6
SCHEMBL4315855 0.79 ALDH1A1 (0.40) EPHX2HPGDRXFP1PPARDPPARA
SCHEMBL4194984 0.78 SUCNR1 (0.41) CETPHDAC3HDAC6
SCHEMBL4460827 0.78 SUCNR1 (0.41) CETPHDAC3HDAC6

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090088458-A1 N-(Pyridin-4-Yl)-2-Phenylbutanamides as Androgen Receptor Modulators MERCK SHARP & DOHME CORP. 2009-04-02 US claimed
EP-1912945-A1 N-(PYRIDIN-4-YL)-2-PHENYLBUTANAMIDES AS ANDROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2008-04-23 EP claimed
WO-2007016358-A1 N-(PYRIDIN-4-YL)-2-PHENYLBUTANAMIDES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-02-08 WO claimed
US-20090088458-A1 N-(Pyridin-4-Yl)-2-Phenylbutanamides as Androgen Receptor Modulators MERCK SHARP & DOHME CORP. 2009-04-02 US disclosed
US-20090088458-A1 N-(Pyridin-4-Yl)-2-Phenylbutanamides as Androgen Receptor Modulators MERCK SHARP & DOHME CORP. 2009-04-02 US disclosed
US-20090088458-A1 N-(Pyridin-4-Yl)-2-Phenylbutanamides as Androgen Receptor Modulators MERCK SHARP & DOHME CORP. 2009-04-02 US disclosed
EP-1912945-A1 N-(PYRIDIN-4-YL)-2-PHENYLBUTANAMIDES AS ANDROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2008-04-23 EP disclosed
WO-2007016358-A1 N-(PYRIDIN-4-YL)-2-PHENYLBUTANAMIDES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-02-08 WO 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-20090088458-A1 N-(Pyridin-4-Yl)-2-Phenylbutanamides as Androgen Receptor Modulators SHBG, AR, NR5A1 CETP 3677/4885ABCC9 4627/4885ABCC8 4785/4885

“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.