SCHEMBL5507925

SCHEMBL5507925

CCC(O)(C(=O)NCc1cc(C(F)(F)F)ccc1F)c1cccc(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 4/20 0.45
TP53 P04637 1/20 0.45
LMNA P02545 4/20 0.44
KMT2A Q03164 4/20 0.42
NPSR1 Q6W5P4 2/20 0.42
RIPK1 Q13546 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 3/20 0.42
MEN1 O00255 3/20 0.42
HTT P42858 2/20 0.42
HPGD P15428 1/20 0.41
SCN5A Q14524 3/20 0.41
SCN9A Q15858 3/20 0.41
PLA2G1B P04054 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
GAA P10253 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL583002 1.00 DDR1 (0.45) DDR1TP53LMNAKMT2ANPSR1
SCHEMBL583603 1.00 DDR1 (0.45) DDR1TP53LMNAKMT2ANPSR1
SCHEMBL5509379 0.90 RIPK1 (0.49) DDR1TP53LMNAKMT2ANPSR1
SCHEMBL583351 0.90 RIPK1 (0.49) DDR1TP53LMNAKMT2ANPSR1
SCHEMBL583397 0.90 RIPK1 (0.49) DDR1TP53LMNAKMT2ANPSR1
SCHEMBL27669390 0.79 KMT2A (0.46) DDR1TP53LMNAKMT2ANPSR1
SCHEMBL5513992 0.75 KMT2A (0.46) DDR1TP53LMNAKMT2ANPSR1
SCHEMBL582826 0.75 KMT2A (0.46) DDR1TP53LMNAKMT2ANPSR1
SCHEMBL5517353 0.75 KMT2A (0.46) DDR1TP53LMNAKMT2ANPSR1
SCHEMBL583555 0.74 POLB (0.41) DDR1TP53LMNAKMT2ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7268153-B2 N-(2-benzyl)-2-phenylbutanamides as androgen receptor modulators MERCK & CO., INC. (US) 2007-09-11 US claimed
US-20050277681-A1 N-(2-benzyl)-2-phenylbutanamides as androgen receptor modulators MERCK SHARP & DOHME CORP. 2005-12-15 US 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-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

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 DDR1 2827/4885TP53 2509/4885LMNA 1363/4885
US-20070225229-A1 N-(2-benzyl)-2-phenylbutanamides as androgen receptor modulators SHBG, AR, BRCA1 DDR1 2827/4885TP53 2509/4885LMNA 1363/4885
US-20080139630-A1 N-(2-Benzyl)-2-Phenylbutanamides As Androgen Receptor Modulators SHBG, AR, NR5A1 DDR1 2778/4885TP53 2492/4885LMNA 1497/4885

“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.