SCHEMBL1573760

SCHEMBL1573760

O=C(Cl)N1CCC(C(F)(F)F)CC1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SPR P35270 13/20 0.41
NAMPT P43490 2/20 0.38
VNN1 O95497 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
CYP2D6 P10635 1/20 0.33
KCNH2 Q12809 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL2706719 0.83 CYP2D6 (0.39) SPRCYP2D6KCNH2HRH3
SCHEMBL27872557 0.82 HRH3 (0.47) SPRNAMPTVNN1CYP2D6KCNH2
SCHEMBL2825842 0.80 SPR (0.39) SPRNAMPTVNN1CYP2D6KCNH2
SCHEMBL15808474 0.79 SPR (0.39) SPRNAMPTVNN1
SCHEMBL772535 0.78 SPR (0.38) SPRNAMPTVNN1CYP2D6KCNH2
SCHEMBL7860329 0.78 EPHX2 (0.46) SPRNAMPTKDM4E
SCHEMBL18312206 0.78 SPR (0.41) SPRNAMPTVNN1CYP2D6KCNH2
SCHEMBL15114446 0.78 RBP4 (0.46) SPRNAMPTVNN1CYP2D6KCNH2
SCHEMBL24549699 0.78 ALDH1A1 (0.58) SPRNAMPT
SCHEMBL28677057 0.76 PKM (0.33) SPR

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
US-8921404-B2 Azole derivatives in the form of lipase and phospholipase inhibitors SANOFI (FR) 2014-12-30 US disclosed
US-20140378436-A9 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their use and Manufacture EXELIXIS, INC. (US) 2014-12-25 US disclosed
EP-1937648-B1 DIACYL INDAZOL DERIVATIVES AS LIPASE AND PHOSPHOLIPASE INHIBITORS SANOFI SA (FR) 2014-11-26 EP disclosed
US-20140066431-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-03-06 US disclosed
US-8637499-B2 Benzoxazepines as inhibitors of PI3K/mTOR and methods of their use and manufacture EXELIXIS, INC. (US) 2014-01-28 US disclosed
US-20140024637-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their use and Manufacture EXELIXIS, INC. (US) 2014-01-23 US disclosed
EP-2643316-A2 BENZOXAZEPINES AS INHIBITORS OF P13K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE Exelixis, Inc. (US) 2013-10-02 EP disclosed
EP-2640367-A2 BENZOXAZEPINES AS INHIBITORS OF PI3K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE Exelixis, Inc. (US) 2013-09-25 EP disclosed
EP-2435426-B1 BENZOXAZEPINES AS INHIBITORS OF PI3K/m TOR AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS INC (US) 2013-05-22 EP disclosed
CN-101160293-A Azole derivatives in the form of lipase and phospholipase inhibitors SANOFI AVENTIS DEUTSCHLAND (FR) 2008-04-09 CN disclosed
CN-100366624-C 2, 3-dihydro-6-nitroimidazo [2,1-b ] * azole compounds OTSUKA PHARMA CO LTD (JP) 2008-02-06 CN disclosed
EP-1874741-A1 AZOLE DERIVATIVES IN THE FORM OF LIPASE AND PHOSPHOLIPASE INHIBITORS sanofi-aventis (FR) 2008-01-09 EP disclosed
WO-2007042178-A1 DIACYL INDAZOL DERIVATIVES AS LIPASE AND PHOSPHOLIPASE INHIBITORS SANOFI-AVENTIS (DE) 2007-04-19 WO disclosed
CN-1914180-A Indazole derivatives as hormone sensitive lipase inhibitors SANOFI AVENTIS DEUTSCHLAND (DE) 2007-02-14 CN disclosed
WO-2006111321-A1 AZOLE DERIVATIVES IN THE FORM OF LIPASE AND PHOSPHOLIPASE INHIBITORS SANOFI-AVENTIS (DE) 2006-10-26 WO disclosed
EP-1713779-A1 INDAZOLE DERIVATIVES AS INHIBITORS OF HORMONE-SENSITIVE LIPASES Sanofi-Aventis Deutschland GmbH (DE) 2006-10-25 EP disclosed
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 CN disclosed
US-20050197348-A1 Indazole derivatives as inhibitors of hormone sensitive lipase AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-09-08 US disclosed
WO-2005073199-A1 INDAZOLE DERIVATIVES AS INHIBITORS OF HORMONE-SENSITIVE LIPASES SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-08-11 WO 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 (4 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-20140378436-A9 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their use and Manufacture MTOR, RICTOR, PIK3CA SPR 3549/4885NAMPT 499/4885VNN1 1852/4885
US-20140024637-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their use and Manufacture MTOR, RICTOR, PIK3CA SPR 3549/4885NAMPT 499/4885VNN1 1852/4885
US-20140066431-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA SPR 3501/4885NAMPT 450/4885VNN1 1878/4885
US-20050197348-A1 Indazole derivatives as inhibitors of hormone sensitive lipase LIPE, PNLIP, CEL SPR 2612/4885NAMPT 2011/4885VNN1 2104/4885

“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.