SCHEMBL582916

SCHEMBL582916

CCc1cnc(F)c(CNC(=O)[C@H](CC)c2ccc(Cl)c(Cl)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 1/20 0.40
GAA P10253 1/20 0.38
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PTGES O14684 3/20 0.36
ALDH1A1 P00352 2/20 0.36
DGAT2 Q96PD7 1/20 0.36
TRPV1 Q8NER1 2/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
FFAR2 O15552 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL583119 1.00 KCNQ2 (0.40) KCNQ2GAAAKR1C3AKR1C2MEN1
SCHEMBL10099974 1.00 KCNQ2 (0.40) KCNQ2GAAAKR1C3AKR1C2MEN1
SCHEMBL583510 0.88 KCNQ2 (0.41) KCNQ2GAAAKR1C3AKR1C2MEN1
SCHEMBL10100010 0.88 KCNQ2 (0.41) KCNQ2GAAAKR1C3AKR1C2MEN1
SCHEMBL582746 0.88 KCNQ2 (0.41) KCNQ2GAAAKR1C3AKR1C2MEN1
SCHEMBL583730 0.85 GAA (0.55) GAAMEN1KMT2ALMNAHTT
SCHEMBL583586 0.85 GAA (0.55) GAAMEN1KMT2ALMNAHTT
SCHEMBL583786 0.84 KCNQ2 (0.40) KCNQ2GAAAKR1C3AKR1C2PTGES
SCHEMBL582937 0.84 KCNQ2 (0.40) KCNQ2GAAAKR1C3AKR1C2PTGES
SCHEMBL10100023 0.84 KCNQ2 (0.40) KCNQ2GAAAKR1C3AKR1C2PTGES

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 15 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
JP-2008501800-A 2008-01-24 JP claimed
US-20070225229-A1 N-(2-benzyl)-2-phenylbutanamides as androgen receptor modulators MERCK SHARP & DOHME CORP. 2007-09-27 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 KCNQ2 3904/4885GAA 2879/4885AKR1C3 529/4885
US-20070225229-A1 N-(2-benzyl)-2-phenylbutanamides as androgen receptor modulators SHBG, AR, BRCA1 KCNQ2 3904/4885GAA 2879/4885AKR1C3 529/4885
US-20080139630-A1 N-(2-Benzyl)-2-Phenylbutanamides As Androgen Receptor Modulators SHBG, AR, NR5A1 KCNQ2 3934/4885GAA 2839/4885AKR1C3 539/4885

“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.