SCHEMBL4313752

SCHEMBL4313752

O=C(NCc1cc(Cl)ncc1F)[C@](O)(c1ccccc1)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.43
BUB1 O43683 1/20 0.39
SUCNR1 Q9BXA5 1/20 0.39
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
RIPK1 Q13546 1/20 0.36
VNN1 O95497 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GLA P06280 2/20 0.34
HPGD P15428 1/20 0.34
LMNA P02545 1/20 0.34
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34
KCNE1 P15382 1/20 0.34
KCNQ1 P51787 1/20 0.34
P2RX7 Q99572 3/20 0.34
BDKRB1 P46663 1/20 0.33
TSHR P16473 1/20 0.33
F2 P00734 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
SCHEMBL13881869 1.00 CETP (0.43) CETPBUB1SUCNR1ALDH1A1TP53
SCHEMBL13881872 0.84 CETP (0.42) CETPSUCNR1RIPK1VNN1BDKRB1
SCHEMBL4308966 0.84 CETP (0.42) CETPSUCNR1RIPK1VNN1BDKRB1
SCHEMBL5517336 0.83 P2RX7 (0.43) CETPSUCNR1TP53RIPK1HPGD
SCHEMBL5509355 0.83 P2RX7 (0.43) CETPSUCNR1TP53RIPK1HPGD
SCHEMBL582729 0.83 P2RX7 (0.43) CETPSUCNR1TP53RIPK1HPGD
SCHEMBL13881859 0.83 CETP (0.41) CETPSUCNR1RIPK1VNN1P2RX7
SCHEMBL4306551 0.83 CETP (0.41) CETPSUCNR1RIPK1VNN1P2RX7
SCHEMBL5517353 0.79 KMT2A (0.46) CETPSUCNR1ALDH1A1TP53RIPK1
SCHEMBL5513992 0.79 KMT2A (0.46) CETPSUCNR1ALDH1A1TP53RIPK1

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-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
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 3677/4885BUB1 2281/4885SUCNR1 1972/4885

“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.