SCHEMBL583003

SCHEMBL583003

CCC(C(=O)NCc1ccccc1)c1ccccc1

nearest known ligand 0.83

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.83
MEN1 O00255 2/20 0.83
GAA P10253 1/20 0.81
POLB P06746 2/20 0.72
KDM4A O75164 1/20 0.68
CRHBP P24387 2/20 0.57
CRHR2 Q13324 2/20 0.57
ALDH1A1 P00352 1/20 0.55
KCNQ2 O43526 2/20 0.54
LMNA P02545 1/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
BACE1 P56817 1/20 0.53
BACE2 Q9Y5Z0 1/20 0.53
MAPT P10636 1/20 0.52
MMP8 P22894 1/20 0.51

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
SCHEMBL674454 0.86 MEN1 (0.71) KMT2AMEN1GAAPOLBKDM4A
SCHEMBL29104181 0.85 KMT2A (0.61) KMT2AMEN1GAAPOLBKDM4A
SCHEMBL27932526 0.84 POLB (0.69) KMT2AMEN1GAAPOLBKDM4A
SCHEMBL402514 0.81 POLB (0.65) KMT2AMEN1GAAPOLBKDM4A
SCHEMBL23784199 0.81 GAA (0.70) KMT2AMEN1GAAPOLBKDM4A
SCHEMBL13608946 0.81 KMT2A (0.67) KMT2AMEN1GAAPOLBALDH1A1
SCHEMBL9276848 0.79 KMT2A (0.57) KMT2AMEN1GAAPOLBALDH1A1
SCHEMBL10031574 0.79 MME (0.65) KMT2AMEN1GAAPOLBALDH1A1
SCHEMBL12240252 0.79 KMT2A (0.57) KMT2AMEN1GAAPOLBALDH1A1
SCHEMBL17548796 0.79 KMT2A (0.57) KMT2AMEN1GAAPOLBALDH1A1

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 18 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 disclosed
US-7763659-B2 N-(2-benzyl)-2-phenylbutanamides as androgen receptor modulators MERCK SHARP & DOHME CORP. (US) 2010-07-27 US 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-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-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-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
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
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
US-20050277681-A1 N-(2-benzyl)-2-phenylbutanamides as androgen receptor modulators MERCK SHARP & DOHME CORP. 2005-12-15 US disclosed
WO-2004113351-A2 BIFUNCTIONAL AMINO-BORON LEWIS ACID - LEWIS BASE CATALYST UNIVERSITY OF DURHAM (GB) 2004-12-29 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 (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 1189/4885MEN1 3096/4885GAA 2879/4885
US-20070225229-A1 N-(2-benzyl)-2-phenylbutanamides as androgen receptor modulators SHBG, AR, BRCA1 KMT2A 1189/4885MEN1 3096/4885GAA 2879/4885
US-20080139630-A1 N-(2-Benzyl)-2-Phenylbutanamides As Androgen Receptor Modulators SHBG, AR, NR5A1 KMT2A 1288/4885MEN1 3173/4885GAA 2839/4885

“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.