SCHEMBL1474054

SCHEMBL1474054

CCCCCNC(=O)N1CCCCC1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.60
TDP1 Q9NUW8 2/20 0.57
KMT2A Q03164 3/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
MEN1 O00255 2/20 0.55
NAMPT P43490 2/20 0.54
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.49
NAAA Q02083 1/20 0.49
EPHX1 P07099 5/20 0.48
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48
POLB P06746 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL7692009 0.98 HTT (0.58) HTTTDP1KMT2AL3MBTL1MEN1
SCHEMBL8396793 0.98 HTT (0.58) HTTTDP1KMT2AL3MBTL1MEN1
SCHEMBL8394588 0.98 HTT (0.58) HTTTDP1KMT2AL3MBTL1MEN1
SCHEMBL8397091 0.98 HTT (0.62) HTTTDP1KMT2AL3MBTL1MEN1
SCHEMBL8393260 0.96 HTT (0.60) HTTTDP1KMT2AL3MBTL1MEN1
SCHEMBL8391321 0.96 HTT (0.60) HTTTDP1KMT2AL3MBTL1MEN1
SCHEMBL8395941 0.96 HTT (0.60) HTTTDP1KMT2AL3MBTL1MEN1
SCHEMBL1681188 0.94 HTT (0.67) HTTTDP1KMT2AL3MBTL1MEN1
SCHEMBL4732560 0.92 HTT (0.69) HTTTDP1KMT2AL3MBTL1MEN1
SCHEMBL21902726 0.89 HTT (0.52) HTTTDP1KMT2AL3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9765030-B2 Benzylamine derivatives and their utility as cholesterol ester-transfer protein inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2017-09-19 US disclosed
US-20140134235-A1 NOVEL BENZYLAMINE DERIVATIVES AND THEIR UTILITY AS CHOLESTEROL ESTER-TRANSFER PROTEIN INHIBITORS DR. REDDY'S LABORATORIES LTD. (IN) 2014-05-15 US disclosed
US-8604055-B2 Substituted benzylamino quinolines as cholesterol ester-transfer protein inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2013-12-10 US disclosed
EP-1846366-B1 NORVALINE DERIVATIVE AND METHOD FOR PREPARATION THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2011-08-03 EP disclosed
US-7915420-B2 Aryl piperidine amides JANSSEN PHARMACEUTICA NV (BE) 2011-03-29 US disclosed
US-7718703-B2 Norvaline derivative and method for preparation thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-05-18 US disclosed
US-20080076769-A1 Norvaline Derivative and Method for Preparation Thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-03-27 US disclosed
US-20080009521-A1 Aryl Piperidine Amides HUANG CHARLES Q 2008-01-10 US disclosed
EP-1846366-A1 NORVALINE DERIVATIVE AND METHOD FOR PREPARATION THEREOF TANABE SEIYAKU CO., LTD. (JP) 2007-10-24 EP disclosed
US-7276610-B2 Aryl piperidine amides JANSSEN PHARACEUTICA, NV (BE) 2007-10-02 US disclosed
US-20070015758-A1 Novel benzylamine derivatives and their utility as cholesterol ester-transfer protein inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2007-01-18 US disclosed
WO-2006080477-A1 NORVALINE DERIVATIVE AND METHOD FOR PREPARATION THEREOF TANABE SEIYAKU CO., LTD. (JP) 2006-08-03 WO disclosed
EP-1660472-A1 ARYL PIPERIDINE AMIDES JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-31 EP disclosed
WO-2005021525-A1 ARYL PIPERIDINE AMIDES JANSSEN PHARMACEUTICA, N.V. (BE) 2005-03-10 WO disclosed
US-20050049239-A1 Aryl piperidine amides JANSSEN PHARMACEUTICA, N.V. (BE) 2005-03-03 US disclosed
WO-2005019200-A2 ARYL PIPERIDINE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-03-03 WO disclosed
US-5864043-A CARDIOVASCULAR DISORDERS AND ANGIOTENSIN ANTAGONIST KARL THOMAE GMBH (DE) 1999-01-26 US disclosed
US-5541229-A ANGIOITENSIN II ANTAGONIST AS HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-07-30 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 (5 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-20140134235-A1 NOVEL BENZYLAMINE DERIVATIVES AND THEIR UTILITY AS CHOLESTEROL ESTER-TRANSFER PROTEIN INHIBITORS CETP, NPC1, DBI HTT 1081/4885TDP1 2110/4885KMT2A 1742/4885
US-20080009521-A1 Aryl Piperidine Amides BDNF, NTRK2, OPRL1 HTT 207/4885TDP1 1751/4885KMT2A 472/4885
US-20050049239-A1 Aryl piperidine amides BDNF, NTRK2, OPRL1 HTT 207/4885TDP1 1751/4885KMT2A 472/4885
US-20070015758-A1 Novel benzylamine derivatives and their utility as cholesterol ester-transfer protein inhibitors CETP, NPC1, DBI HTT 1081/4885TDP1 2110/4885KMT2A 1742/4885
US-20080076769-A1 Norvaline Derivative and Method for Preparation Thereof SLC38A7, SLC7A1, SLC6A7 HTT 408/4885TDP1 4604/4885KMT2A 2225/4885

“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.