SCHEMBL5247355

SCHEMBL5247355

CNC(=O)CCCCc1ccc(CCCCN)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.40
TBXAS1 P24557 1/20 0.39
HDAC1 Q13547 5/20 0.39
HDAC2 Q92769 5/20 0.39
HDAC3 O15379 4/20 0.39
FAAH O00519 1/20 0.39
TBK1 Q9UHD2 1/20 0.38
HDAC4 P56524 2/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC10 Q969S8 2/20 0.38
HDAC11 Q96DB2 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC9 Q9UKV0 2/20 0.38
HDAC5 Q9UQL6 2/20 0.38
HRH1 P35367 3/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL27594121 0.84 PDE3B (0.41) CYP3A4FAAHHRH1KDM4EMEN1
SCHEMBL7094583 0.80 HRH1 (0.50) HRH1CYP1A2
SCHEMBL6478654 0.76 CYP2A6 (0.50) CYP3A4HRH1KDM4EMEN1ALDH1A1
SCHEMBL22526771 0.75 TPSAB1 (0.53) TBXAS1HDAC1HDAC2HDAC3TBK1
SCHEMBL25944961 0.75 HDAC2 (0.48) HDAC1HDAC2HDAC8MEN1ALDH1A1
SCHEMBL612329 0.73 HDAC6 (0.51) TBXAS1HDAC1HDAC2HDAC3HDAC10
SCHEMBL10978490 0.73 PDE3B (0.43) CYP3A4FAAHKDM4EMEN1ALDH1A1
SCHEMBL1875583 0.72
Hydrochloric Acid SCHEMBL611127 0.72 HDAC6 (0.50) TBXAS1HDAC1HDAC2HDAC3HDAC10
SCHEMBL16258540 0.72 HDAC1 (0.50) HDAC1HDAC2HDAC3TBK1HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190307735-A1 Composition and Methods for Treating Chronic Kidney Disease MERCK SHARP & DOHME CORP (US) 2019-10-10 US disclosed
US-20190307735-A1 Composition and Methods for Treating Chronic Kidney Disease MERCK SHARP & DOHME CORP (US) 2019-10-10 US disclosed
US-20180110762-A1 Compositions Methods for Treating Chronic Kidney Disease MERCK SHARP & DOHME CORP (US) 2018-04-26 US disclosed
US-20180110762-A1 Compositions Methods for Treating Chronic Kidney Disease MERCK SHARP & DOHME CORP (US) 2018-04-26 US disclosed
US-20180110762-A1 Compositions Methods for Treating Chronic Kidney Disease MERCK SHARP & DOHME CORP (US) 2018-04-26 US disclosed
WO-2016154369-A1 COMPOSITION AND METHODS FOR TREATING CHRONIC KIDNEY DISEASE MERCK SHARP & DOHME CORP. (US) 2016-09-29 WO disclosed
EP-1187592-B1 ALPHA V INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2007-08-01 EP disclosed
EP-1187592-B1 ALPHA V INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2007-08-01 EP disclosed
EP-1315501-B1 ALPHA V INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2007-02-07 EP disclosed
EP-1315501-B1 ALPHA V INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2007-02-07 EP disclosed
US-7153862-B2 αv integrin receptor antagonists MERCK & CO., INC. (US) 2006-12-26 US disclosed
US-7056909-B2 Alpha v integrin receptor antagonists MERCK & CO., INC. (US) 2006-06-06 US disclosed
US-20050101593-A1 Phosphoric acid salt of an integrin receptor antagonist MEISSNER ROBERT S (US) 2005-05-12 US disclosed
US-20040038963-A1 Alpha v integrin receptor antagonists MERCK SHARP & DOHME CORP. 2004-02-26 US disclosed
US-6693101-B2 ALKANOIC ACID DERIVATIVE; INTEGRIN RECEPTOR ANTAGONIST MERCK & CO., INC. 2004-02-17 US disclosed
US-20040019037-A1 Alpha V integrin receptor antagonists ASKEW BEN C (US) 2004-01-29 US disclosed
EP-1326615-A1 PHOSPHORIC ACID SALT OF AN INTEGRIN RECEPTOR ANTAGONIST Merck & Co., Inc. (US) 2003-07-16 EP disclosed
US-6410526-B1 BONE DISORDERS; RESTENOSIS; VISION DISORDERS; ANTICHOLESTEROL AGENTS; ANTICANCER, ANTITUMOR AGENTS MERCK & CO., INC. 2002-06-25 US disclosed
WO-2002028395-A1 PHOSPHORIC ACID SALT OF AN INTEGRIN RECEPTOR ANTAGONIST MERCK & CO., INC. (US) 2002-04-11 WO disclosed
US-20010053853-A1 Alpha V integrin receptor antagonists MERCK & CO., INC. 2001-12-20 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 (6 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-20040038963-A1 Alpha v integrin receptor antagonists ITGAV, ADGRE5, ITGB3 CYP3A4 3435/4885TBXAS1 932/4885HDAC1 1756/4885
US-20180110762-A1 Compositions Methods for Treating Chronic Kidney Disease ITGAM, ITGAL, ITGB1 CYP3A4 4884/4885TBXAS1 1378/4885HDAC1 1663/4885
US-20190307735-A1 Composition and Methods for Treating Chronic Kidney Disease ITGAM, ITGB1, ITGB2 CYP3A4 4884/4885TBXAS1 1947/4885HDAC1 1865/4885
US-20040019037-A1 Alpha V integrin receptor antagonists ITGAV, ADGRE5, ITGA5 CYP3A4 3769/4885TBXAS1 705/4885HDAC1 2093/4885
US-20050101593-A1 Phosphoric acid salt of an integrin receptor antagonist ITGA5, ITGAL, ITGA2 CYP3A4 4448/4885TBXAS1 855/4885HDAC1 2591/4885
US-20010053853-A1 Alpha V integrin receptor antagonists ITGAV, ADGRE5, ITGA5 CYP3A4 3769/4885TBXAS1 705/4885HDAC1 2093/4885

“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.