SCHEMBL582937

SCHEMBL582937

CC[C@H](C(=O)NCc1cc(C2CC2)cnc1F)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 1/20 0.40
PTGES O14684 4/20 0.38
S1PR3 Q99500 2/20 0.37
S1PR1 P21453 1/20 0.37
TRPV1 Q8NER1 2/20 0.37
GPR139 Q6DWJ6 2/20 0.37
GAA P10253 1/20 0.36
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
DGAT2 Q96PD7 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SLC6A3 Q01959 2/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 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
SCHEMBL583786 1.00 KCNQ2 (0.40) KCNQ2PTGESS1PR3S1PR1TRPV1
SCHEMBL10100023 1.00 KCNQ2 (0.40) KCNQ2PTGESS1PR3S1PR1TRPV1
SCHEMBL14192006 0.87 KCNQ2 (0.39) KCNQ2PTGESS1PR3S1PR1GAA
SCHEMBL583396 0.86 GAA (0.51) GAA
SCHEMBL583395 0.86 GAA (0.51) GAA
SCHEMBL582746 0.85 KCNQ2 (0.41) KCNQ2PTGESS1PR3S1PR1TRPV1
SCHEMBL10100010 0.85 KCNQ2 (0.41) KCNQ2PTGESS1PR3S1PR1TRPV1
SCHEMBL583510 0.85 KCNQ2 (0.41) KCNQ2PTGESS1PR3S1PR1TRPV1
SCHEMBL582916 0.84 KCNQ2 (0.40) KCNQ2PTGESTRPV1GAAAKR1C3
SCHEMBL10099974 0.84 KCNQ2 (0.40) KCNQ2PTGESTRPV1GAAAKR1C3

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 10 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
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
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 3904/4885PTGES 903/4885S1PR3 1865/4885
US-20070225229-A1 N-(2-benzyl)-2-phenylbutanamides as androgen receptor modulators SHBG, AR, BRCA1 KCNQ2 3904/4885PTGES 903/4885S1PR3 1865/4885
US-20080139630-A1 N-(2-Benzyl)-2-Phenylbutanamides As Androgen Receptor Modulators SHBG, AR, NR5A1 KCNQ2 3934/4885PTGES 892/4885S1PR3 1906/4885

“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.