SCHEMBL583334

SCHEMBL583334

CC[C@@H](C(=O)NCc1cc(C(F)(F)F)ccc1F)c1cccc(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
POLB P06746 2/20 0.47
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KCNQ2 O43526 1/20 0.43
DDR1 Q08345 1/20 0.42
DGAT2 Q96PD7 1/20 0.41
USP30 Q70CQ3 1/20 0.41
MTOR P42345 1/20 0.40
TRPV1 Q8NER1 7/20 0.40
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 1/20 0.38

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
SCHEMBL10099976 1.00 KMT2A (0.47) KMT2APOLBMEN1ALDH1A1CYP1A2
SCHEMBL582484 1.00 KMT2A (0.47) KMT2APOLBMEN1ALDH1A1CYP1A2
SCHEMBL583179 0.89 KMT2A (0.49) KMT2APOLBMEN1ALDH1A1CYP1A2
SCHEMBL583547 0.89 MEN1 (0.43) KMT2APOLBMEN1ALDH1A1CYP1A2
SCHEMBL10099966 0.89 MEN1 (0.43) KMT2APOLBMEN1ALDH1A1CYP1A2
SCHEMBL582813 0.89 MEN1 (0.43) KMT2APOLBMEN1ALDH1A1CYP1A2
SCHEMBL582986 0.88 POLB (0.45) KMT2APOLBMEN1ALDH1A1CYP1A2
SCHEMBL10100033 0.88 POLB (0.45) KMT2APOLBMEN1ALDH1A1CYP1A2
SCHEMBL582561 0.88 POLB (0.45) KMT2APOLBMEN1ALDH1A1CYP1A2
SCHEMBL23640061 0.88 MEN1 (0.58) KMT2APOLBMEN1ALDH1A1CYP1A2

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
US-20080139630-A1 N-(2-Benzyl)-2-Phenylbutanamides As Androgen Receptor Modulators MERCK SHARP & DOHME CORP. 2008-06-12 US claimed
US-20070225229-A1 N-(2-benzyl)-2-phenylbutanamides as androgen receptor modulators MERCK SHARP & DOHME CORP. 2007-09-27 US claimed
CN-1976902-A N-(2-benzyl)-2-phenylbutanamides as androgen receptor modulators MERCK & CO INC (US) 2007-06-06 CN 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
CN-1976902-A N-(2-benzyl)-2-phenylbutanamides as androgen receptor modulators MERCK & CO INC (US) 2007-06-06 CN 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 KMT2A 1189/4885POLB 388/4885MEN1 3096/4885
US-20070225229-A1 N-(2-benzyl)-2-phenylbutanamides as androgen receptor modulators SHBG, AR, BRCA1 KMT2A 1189/4885POLB 388/4885MEN1 3096/4885
US-20080139630-A1 N-(2-Benzyl)-2-Phenylbutanamides As Androgen Receptor Modulators SHBG, AR, NR5A1 KMT2A 1288/4885POLB 406/4885MEN1 3173/4885

“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.