SCHEMBL583522

SCHEMBL583522

Cc1cnc(F)c(CNC(=O)[C@](O)(c2ccccc2)C(F)(F)C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.38
RIPK1 Q13546 1/20 0.34
PDK2 Q15119 1/20 0.34
NTRK1 P04629 1/20 0.34
F2 P00734 3/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
SUCNR1 Q9BXA5 1/20 0.33
PRSS1 P07477 1/20 0.33
BDKRB1 P46663 3/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HTT P42858 2/20 0.32
PKM P14618 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
FFAR1 O14842 1/20 0.32
VNN1 O95497 1/20 0.32

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
SCHEMBL5511395 1.00 CETP (0.38) CETPRIPK1PDK2NTRK1F2
SCHEMBL582609 1.00 CETP (0.38) CETPRIPK1PDK2NTRK1F2
SCHEMBL5516583 0.93 CETP (0.43) CETPRIPK1PDK2NTRK1F2
SCHEMBL5512877 0.93 CETP (0.43) CETPRIPK1PDK2NTRK1F2
SCHEMBL582344 0.93 CETP (0.43) CETPRIPK1PDK2NTRK1F2
SCHEMBL583245 0.83 RIPK1 (0.41) RIPK1F2RAB9ANPC1BDKRB1
SCHEMBL583751 0.83 RIPK1 (0.41) RIPK1F2RAB9ANPC1BDKRB1
SCHEMBL5184187 0.83 RIPK1 (0.41) RIPK1F2RAB9ANPC1BDKRB1
SCHEMBL4312802 0.80 CETP (0.37) CETPRIPK1NPC1SUCNR1BDKRB1
SCHEMBL4322706 0.80 CETP (0.37) CETPRIPK1NPC1SUCNR1BDKRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1755572-B1 N- (2-BENZYL) -2-PHENYLBUTANAMIDES AS ANDROGEN RECEPTOR MODULATORS MERCK SHARP & DOHME (US) 2012-02-15 EP claimed
JP-2008501800-A 2008-01-24 JP claimed
US-7268153-B2 N-(2-benzyl)-2-phenylbutanamides as androgen receptor modulators MERCK & CO., INC. (US) 2007-09-11 US claimed
EP-1755572-A2 N- (2-BENZYL) -2-PHENYLBUTANAMIDES AS ANDROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2007-02-28 EP claimed
WO-2005120477-A2 N- (2-BENZYL) -2-PHENYLBUTANAMIDES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2005-12-22 WO claimed
EP-1755572-B1 N- (2-BENZYL) -2-PHENYLBUTANAMIDES AS ANDROGEN RECEPTOR MODULATORS MERCK SHARP & DOHME (US) 2012-02-15 EP disclosed
US-7763659-B2 N-(2-benzyl)-2-phenylbutanamides as androgen receptor modulators MERCK SHARP & DOHME CORP. (US) 2010-07-27 US disclosed
US-7629367-B2 Tissue-selective androgen receptor modulators (SARMs); male hypogonadism, prostate cancer, benign prostate hyperplasia, sarcopenia, rheumatoid arthritis and osteoarthritis; N-((5-cyclopropyl-2-fluoropyridin-3-yl)methyl)-2-phenylbutanamide for example MERCK & CO., INC. (US) 2009-12-08 US disclosed
US-20080139630-A1 N-(2-Benzyl)-2-Phenylbutanamides As Androgen Receptor Modulators MERCK SHARP & DOHME CORP. 2008-06-12 US disclosed
US-20070225229-A1 N-(2-benzyl)-2-phenylbutanamides as androgen receptor modulators MERCK SHARP & DOHME CORP. 2007-09-27 US disclosed
US-7268153-B2 N-(2-benzyl)-2-phenylbutanamides as androgen receptor modulators MERCK & CO., INC. (US) 2007-09-11 US disclosed
EP-1755572-A2 N- (2-BENZYL) -2-PHENYLBUTANAMIDES AS ANDROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2007-02-28 EP disclosed
WO-2005120477-A2 N- (2-BENZYL) -2-PHENYLBUTANAMIDES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2005-12-22 WO disclosed
US-20050277681-A1 N-(2-benzyl)-2-phenylbutanamides as androgen receptor modulators MERCK SHARP & DOHME CORP. 2005-12-15 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 (3 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-20050277681-A1 N-(2-benzyl)-2-phenylbutanamides as androgen receptor modulators SHBG, AR, BRCA1 CETP 3235/4885RIPK1 2537/4885PDK2 804/4885
US-20070225229-A1 N-(2-benzyl)-2-phenylbutanamides as androgen receptor modulators SHBG, AR, BRCA1 CETP 3235/4885RIPK1 2537/4885PDK2 804/4885
US-20080139630-A1 N-(2-Benzyl)-2-Phenylbutanamides As Androgen Receptor Modulators SHBG, AR, NR5A1 CETP 3245/4885RIPK1 2512/4885PDK2 726/4885

“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.