SCHEMBL3624896

SCHEMBL3624896

COCCNCCC(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MLYCD O95822 1/20 0.36
LTA4H P09960 1/20 0.36
DGAT1 O75907 1/20 0.35
TSHR P16473 3/20 0.35
EPHX2 P34913 1/20 0.35
CA12 O43570 3/20 0.33
CA14 Q9ULX7 3/20 0.33
CA2 P00918 2/20 0.33
ATM Q13315 1/20 0.33
CA1 P00915 1/20 0.33
STING1 Q86WV6 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL19478676 0.90 KDM4E (0.36) KDM4EALDH1A1MEN1KMT2AMLYCD
SCHEMBL17401062 0.90 KDM4E (0.36) KDM4EALDH1A1MEN1KMT2AMLYCD
SCHEMBL16086532 0.89 TSHR (0.44) KDM4EALDH1A1MEN1KMT2AMLYCD
SCHEMBL25493115 0.89 KDM4E (0.41) KDM4EALDH1A1MEN1KMT2ALTA4H
SCHEMBL3485766 0.88 EPHX2 (0.40) MEN1KMT2AMLYCDDGAT1TSHR
SCHEMBL46884 0.86 KDM4E (0.39) KDM4EALDH1A1MEN1KMT2AMLYCD
SCHEMBL3705028 0.84 MAOA (0.34) MEN1KMT2AMLYCDLTA4HDGAT1
SCHEMBL7282196 0.83 ALDH1A1 (0.42) KDM4EALDH1A1MEN1KMT2ADGAT1
SCHEMBL1398380 0.82 TSHR (0.52) KDM4EALDH1A1MEN1KMT2ALTA4H
SCHEMBL948359 0.81 PAOX (0.38) ALDH1A1MEN1KMT2AMLYCDDGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116836157-A Oxadiazole derivative and preparation method and application thereof 星希尔生物科技(上海)有限公司 2023-10-03 CN disclosed
WO-2023179366-A1 OXADIAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF 星希尔生物科技(上海)有限公司 2023-09-28 WO disclosed
US-8921576-B2 Spiroindoline compound, and medicinal agent comprising same KOWA COMPANY, LTD. (JP) 2014-12-30 US disclosed
US-20140309207-A1 NOVEL SPIROINDOLINE COMPOUND, AND MEDICINAL AGENT COMPRISING SAME KOWA COMPANY, LTD (JP) 2014-10-16 US disclosed
EP-2781521-A1 NOVEL SPIROINDOLINE COMPOUND, AND MEDICINAL AGENT COMPRISING SAME Kowa Company, Ltd. (JP) 2014-09-24 EP disclosed
US-7781443-B2 cholesteryl ester transfer protein (CETP) anatgonists such as 2R,4S)-4-{[3,5-Bis(trifluoromethyl)benzyl]-[5-(morpholin-4-yl)pyrimidin-2-yl]}amino-2-ethyl-6-methoxy-3,4-dihydro-2H-[1,5]naphthyridine-1-carboxylic acid ethyl ester, having improved bioavailability MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-08-24 US disclosed
EP-2139892-A1 SUBSTITUTED PYRIMIDODIAZEPINES USEFUL AS PLK1 INHIBITORS F. Hoffmann-Roche AG (CH) 2010-01-06 EP disclosed
US-7517873-B2 Substituted pyrimidodiazepines HOFFMAN-LA ROCHE INC. (US) 2009-04-14 US disclosed
CN-100441579-C Tetrahydronaphthyridine derivatives as cholesteryl ester transfer protein inhibitors TANABE SEIYAKU CO (JP) 2008-12-10 CN disclosed
WO-2008119734-A2 PROCESS FOR THE MANUFACTURE OF ORGANIC COMPOUNDS NOVARTIS AG (CH) 2008-10-09 WO disclosed
WO-2008119734-A2 PROCESS FOR THE MANUFACTURE OF ORGANIC COMPOUNDS NOVARTIS AG (CH) 2008-10-09 WO disclosed
WO-2008113711-A1 SUBSTITUTED PYRIMIDODIAZEPINES USEFUL AS PLK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-09-25 WO disclosed
US-20080234255-A1 SUBSTITUTED PYRIMIDODIAZEPINES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-25 US disclosed
CN-1938301-A Tetrahydronaphthyridine derivatives as cholesteryl ester transfer protein inhibitors TANABE SEIYAKU CO (JP) 2007-03-28 CN disclosed
US-20070032485-A1 Tetrahydronaphthyridine derivatives and a process for preparing the same TANABE SEIYAKU CO., LTD. 2007-02-08 US disclosed
EP-1732924-A2 TETRAHYDRONAPHTHYRIDINE DERIVATIVES AS CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS TANABE SEIYAKU CO., LTD. (JP) 2006-12-20 EP disclosed
WO-2005095395-A2 TETRAHYDRONAPHTHYRIDINE DERIVATIVES AS CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS TANABE SEIYAKU CO., LTD. (JP) 2005-10-13 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 (3 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-20080234255-A1 SUBSTITUTED PYRIMIDODIAZEPINES PLK1, CCNI, CDK1 KDM4E 1150/4885ALDH1A1 1365/4885MEN1 1136/4885
US-20070032485-A1 Tetrahydronaphthyridine derivatives and a process for preparing the same CETP, MTTP, NPC1L1 KDM4E 2158/4885ALDH1A1 3511/4885MEN1 3043/4885
US-20140309207-A1 NOVEL SPIROINDOLINE COMPOUND, AND MEDICINAL AGENT COMPRISING SAME GCKR, GCK, GALK1 KDM4E 4071/4885ALDH1A1 575/4885MEN1 1769/4885

“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.