SCHEMBL5510049

SCHEMBL5510049

O=C(NCc1cc(C2CC2)ccc1F)C(O)(c1ccc(F)cc1)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
ALDH1A1 P00352 2/20 0.38
TRPA1 O75762 2/20 0.37
KMT2A Q03164 1/20 0.37
DHODH Q02127 1/20 0.37
CCR2 P41597 5/20 0.36
KCNH2 Q12809 2/20 0.36
SUCNR1 Q9BXA5 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
RAB9A P51151 1/20 0.35
HTR7 P34969 1/20 0.35
USP30 Q70CQ3 1/20 0.34
KLKB1 P03952 1/20 0.34
TACR1 P25103 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
SCHEMBL5518614 1.00 POLB (0.38) POLBALDH1A1TRPA1KMT2ADHODH
SCHEMBL5513050 1.00 POLB (0.38) POLBALDH1A1TRPA1KMT2ADHODH
SCHEMBL13255843 0.91 RIPK1 (0.38) POLBKMT2ADHODHCCR2SUCNR1
SCHEMBL5522553 0.85 POLQ (0.36) POLBKMT2ADHODHCCR2KCNH2
SCHEMBL583527 0.85 POLQ (0.36) POLBKMT2ADHODHCCR2KCNH2
SCHEMBL582587 0.85 POLQ (0.36) POLBKMT2ADHODHCCR2KCNH2
SCHEMBL582742 0.83 POLB (0.44) POLBTRPA1KMT2ASUCNR1USP30
SCHEMBL4189782 0.78 RORC (0.40) TRPA1CCR2KCNH2SUCNR1
SCHEMBL4188271 0.78 RORC (0.40) TRPA1CCR2KCNH2SUCNR1
SCHEMBL4457927 0.78 RORC (0.40) TRPA1CCR2KCNH2SUCNR1

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 11 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-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 (2 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-20070225229-A1 N-(2-benzyl)-2-phenylbutanamides as androgen receptor modulators SHBG, AR, BRCA1 POLB 388/4885ALDH1A1 2768/4885TRPA1 3515/4885
US-20080139630-A1 N-(2-Benzyl)-2-Phenylbutanamides As Androgen Receptor Modulators SHBG, AR, NR5A1 POLB 406/4885ALDH1A1 2873/4885TRPA1 3584/4885

“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.