SCHEMBL826085

SCHEMBL826085

[c]1ccccc1OCCN1CCOCC1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
LTA4H P09960 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
POLB P06746 1/20 0.51
KDM4E B2RXH2 4/20 0.50
DRD1 P21728 1/20 0.50
DRD4 P21917 1/20 0.50
DRD5 P21918 1/20 0.50
ALDH1A1 P00352 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
SCHEMBL2183432 0.93 KDM4E (0.56) POLBKDM4EALDH1A1
SCHEMBL956747 0.86 LTA4H (0.51) LTA4HPOLB
SCHEMBL11088044 0.84 MEN1 (0.41) NPC1RAB9ALTA4HMEN1KMT2A
SCHEMBL2180083 0.84 TSHR (0.53) LTA4HPOLBKDM4EDRD1DRD4
SCHEMBL2182155 0.83 LTA4H (0.51) NPC1RAB9ALTA4HMEN1KMT2A
SCHEMBL28424129 0.81 NPC1 (0.60) NPC1RAB9ALTA4HMEN1KMT2A
SCHEMBL6994588 0.80 HSD17B10 (0.56) MEN1KMT2APOLBKDM4EALDH1A1
SCHEMBL28893962 0.79 NPC1 (0.65) NPC1RAB9ALTA4HMEN1KMT2A
SCHEMBL3129790 0.78 MEN1 (0.35) NPC1RAB9ALTA4HMEN1KMT2A
SCHEMBL29042014 0.78 KDM4E (0.47) NPC1RAB9ALTA4HMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-07-07 US claimed
US-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2010-12-16 US claimed
WO-2010036316-A1 UREA AND CARBAMATE COMPOUNDS AND ANALOGS AS KINASE INHIBITORS FENG YANGBO (US) 2010-04-01 WO claimed
WO-2010014798-A2 PYRIMIDOTRIAZINEDIONES AND PYRIMIDOPYRIMIDINEDIONES AND METHODS OF USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-02-04 WO claimed
US-20080312271-A1 AZABENZIMIDAZOLYL COMPOUNDS PFIZER INC. 2008-12-18 US claimed
US-20080280933-A1 BENZIMIDAZOLYL COMPOUNDS EFREMOV IVAN 2008-11-13 US claimed
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors ASTRAZENECA AB (SE) 2008-04-24 US claimed
WO-2008012623-A1 BENZIMIDAZOLYL COMPOUNDS AS POTENTIATORS OF MGLUR2 SUBTYPE OF GLUTAMATE RECEPTOR PFIZER PRODUCTS INC. (US) 2008-01-31 WO claimed
WO-2008012622-A2 AZABENZIMIDAZOLYL COMPOUNDS AS POTENTIATORS OF MGLUR2 SUBTYPE OF GLUTAMATE RECEPTOR PFIZER PRODUCTS INC. (US) 2008-01-31 WO claimed
US-7297792-B2 Pyrazolopyridines and pyrazolopyridazines as antidiabetics SMITHKLINE BEECHAM CORPORATION (US) 2007-11-20 US claimed
EP-1833806-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS AstraZeneca AB (SE) 2007-09-19 EP claimed
US-20060223800-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIDAZINES ADN ANTIDIABETICS GARLAND STEPHEN 2006-10-05 US claimed
US-7109199-B2 Pyrazolopyridines and pyrazolopyridazines as antidiabetics SMITHKLINE BEECHAM CORPORATION (US) 2006-09-19 US claimed
WO-2006064189-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2006-06-22 WO claimed
US-20040019052-A1 Pyrazolopyridines and pyrazolopyridazines as antidabetics SMITHKLINE BEECHAM P.L.C. (GB) 2004-01-29 US claimed
EP-1319001-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIDAZINES AS ANTIDIABETICS SMITHKLINE BEECHAM PLC (GB) 2003-06-18 EP claimed
WO-2002024694-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIDAZINES AS ANTIDIABETICS SMITHKLINE BEECHAM, P.L.C. (GB) 2002-03-28 WO claimed
US-3978055-A SEDATIVE, ANTIINFLAMMATORY, VASODILATION, BRONCHODILATION DELALANDE S.A. (FR) 1976-08-31 US claimed
US-20230181524-A1 PHARMACEUTICAL COMBINATION AND USE THEREOF NATURAL MEDICINE INSTITUTE OF ZHEJIANG YANGSHENGTANG CO., LTD. (CN) 2023-06-15 US disclosed
EP-0468641-A2 Renin inhibiting dipeptide derivatives, their preparation and pharmaceutical preparations containing them SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1992-01-29 EP 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 (8 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-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS DGAT1, DGAT2, GPR119 NPC1 423/4885RAB9A 2923/4885LTA4H 1850/4885
US-20080280933-A1 BENZIMIDAZOLYL COMPOUNDS PAICS, TMBIM6, ABCG2 NPC1 282/4885RAB9A 1014/4885LTA4H 1902/4885
US-20060223800-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIDAZINES ADN ANTIDIABETICS ADK, PDXK, GPR119 NPC1 2297/4885RAB9A 2876/4885LTA4H 1476/4885
US-20080312271-A1 AZABENZIMIDAZOLYL COMPOUNDS AZI2, PAICS, UGT2B7 NPC1 651/4885RAB9A 1130/4885LTA4H 2060/4885
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors DGAT1, DGAT2, GPR119 NPC1 399/4885RAB9A 2977/4885LTA4H 2078/4885
US-20230181524-A1 PHARMACEUTICAL COMBINATION AND USE THEREOF TCF4, TCF7L2, CTNNB1 NPC1 28/4885RAB9A 3233/4885LTA4H 3758/4885
US-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same DPYD, TYMP, DHFR NPC1 1594/4885RAB9A 4134/4885LTA4H 2556/4885
US-20040019052-A1 Pyrazolopyridines and pyrazolopyridazines as antidabetics PDXK, GCK, IAPP NPC1 2215/4885RAB9A 2207/4885LTA4H 2800/4885

“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.