SCHEMBL4682160

SCHEMBL4682160

COc1cccc([C@@H](O)c2cc(Cl)ccc2NCC(C)(C)CO)c1OC

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 11/20 0.45
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
LPAR1 Q92633 2/20 0.39
NPC1 O15118 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL4682165 1.00 FDFT1 (0.45) FDFT1ALDH1A1MAPTLPAR1NPC1
SCHEMBL8102417 0.90 FDFT1 (0.49) FDFT1ALDH1A1MAPTLPAR1MEN1
SCHEMBL8561718 0.82 FDFT1 (0.47) FDFT1ALDH1A1MAPTLPAR1MEN1
SCHEMBL8561726 0.82 FDFT1 (0.47) FDFT1ALDH1A1MAPTLPAR1MEN1
SCHEMBL8110836 0.81 FDFT1 (0.46) FDFT1LPAR1
SCHEMBL4287472 0.79 FDFT1 (0.42) FDFT1ALDH1A1
SCHEMBL8560596 0.79 LPAR1 (0.47) FDFT1ALDH1A1MAPTLPAR1NPC1
SCHEMBL8566775 0.79 LPAR1 (0.47) FDFT1ALDH1A1MAPTLPAR1NPC1
SCHEMBL8567301 0.79 LPAR1 (0.47) FDFT1ALDH1A1MAPTLPAR1NPC1
SCHEMBL4121857 0.78 TAS1R3 (0.44) ALDH1A1MAPTLPAR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090088416-A1 DEUTERIUM-ENRICHED LAPAQUISTAT PROTIA, LLC (US) 2009-04-02 US disclosed
US-20080227770-A1 Benzoxazepine Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-18 US disclosed
EP-1097928-B1 5-(2,3-Dialkoxyphenyl)-4,1-benzoxazepin-2-ones as anti-hyperlipidemics TAKEDA PHARMACEUTICAL (JP) 2008-07-16 EP disclosed
US-20080153801-A1 Benzoxazepine compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED 2008-06-26 US disclosed
US-20070238721-A1 Highly Selective Novel Amidation Method TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-10-11 US disclosed
US-20070238721-A1 Highly Selective Novel Amidation Method TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-10-11 US disclosed
US-20070238721-A1 Highly Selective Novel Amidation Method TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-10-11 US disclosed
US-20070117787-A1 Benzoxazepine compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED 2007-05-24 US disclosed
EP-1753752-A1 HIGHLY SELECTIVE NOVEL AMIDATION METHOD Takeda Pharmaceutical Company Limited (JP) 2007-02-21 EP disclosed
EP-1650201-A1 BENZOXAZEPINE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2006-04-26 EP disclosed
WO-2005121133-A1 HIGHLY SELECTIVE NOVEL AMIDATION METHOD TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-12-22 WO disclosed
US-20040072819-A1 Benzoxazepine compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. 2004-04-15 US disclosed
US-6613761-B1 (3R,5S)-N- methanesulfonyl-7-chloro-5-(2,3-dimethoxyphenyl) -1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-1,2,3,5-tetrahydro-4, 1-benzoxazepine-3-acetamide, used as antilipemic agents and enzyme inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-09-02 US disclosed
EP-0862562-B1 BENZOXAZEPINE COMPOUNDS, THEIR PRODUCTION AND USE AS LIPID LOWERING AGENTS TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-07-04 EP disclosed
EP-1097928-A1 5-(2,3-Dialkoxyphenyl)-4,1-benzoxazepin-2-ones as anti-hyperlipidemics Takeda Chemical Industries, Ltd. (JP) 2001-05-09 EP disclosed
US-6110909-A SQUALENE SYNTHETASE INHIBITING ANTILIPEMIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-08-29 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-20090088416-A1 DEUTERIUM-ENRICHED LAPAQUISTAT LPXN, SLC10A2, SLC10A1 FDFT1 778/4885ALDH1A1 1771/4885MAPT 2088/4885
US-20070117787-A1 Benzoxazepine compounds, their production and use NR1H2, APOB, CETP FDFT1 1208/4885ALDH1A1 2601/4885MAPT 3797/4885
US-20040072819-A1 Benzoxazepine compounds, their production and use CES1, CETP, CYP46A1 FDFT1 709/4885ALDH1A1 1529/4885MAPT 3925/4885
US-20070238721-A1 Highly Selective Novel Amidation Method NAAA, CPS1, COASY FDFT1 1957/4885ALDH1A1 1472/4885MAPT 3828/4885
US-20080227770-A1 Benzoxazepine Compound NR1H2, SQLE, NR1H3 FDFT1 15/4885ALDH1A1 1170/4885MAPT 4191/4885
US-20080153801-A1 Benzoxazepine compounds, their production and use CETP, PCSK9, LPL FDFT1 841/4885ALDH1A1 2217/4885MAPT 3877/4885

“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.