SCHEMBL693233

SCHEMBL693233

c1ccc(N2CCCc3ccccc32)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.51
SIGMAR1 Q99720 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
OPRM1 P35372 1/20 0.49
TP53 P04637 1/20 0.49
MAPT P10636 2/20 0.49
MAPK1 P28482 1/20 0.49
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
USP2 O75604 1/20 0.48
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
MGLL Q99685 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NOTUM Q6P988 1/20 0.47
JAK2 O60674 1/20 0.47
JAK3 P52333 1/20 0.47
PTK2 Q05397 1/20 0.47
NUDT1 P36639 1/20 0.46

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
SCHEMBL29478502 1.00 ROCK1 (0.51) ROCK1SIGMAR1SMN1; SMN2OPRM1TP53
SCHEMBL618870 0.94 OPRM1 (0.48) ROCK1SIGMAR1SMN1; SMN2OPRM1TP53
SCHEMBL3905172 0.88 ALDH1A1 (0.53) ROCK1SIGMAR1SMN1; SMN2TP53MAPT
SCHEMBL29542545 0.88 ALDH1A1 (0.53) ROCK1SIGMAR1SMN1; SMN2TP53MAPT
SCHEMBL28159694 0.85 MAPT (0.52) ROCK1SIGMAR1SMN1; SMN2OPRM1TP53
SCHEMBL28160161 0.85 ALDH1A1 (0.52) ROCK1SIGMAR1SMN1; SMN2OPRM1TP53
SCHEMBL11601096 0.85 SMN1; SMN2 (0.49) ROCK1SIGMAR1SMN1; SMN2OPRM1TP53
SCHEMBL2201933 0.85 SMN1; SMN2 (0.53) ROCK1SIGMAR1SMN1; SMN2OPRM1TP53
SCHEMBL3145073 0.85 ROCK1 (0.47) ROCK1SIGMAR1SMN1; SMN2OPRM1TP53
SCHEMBL23632273 0.85 ALDH1A1 (0.59) SMN1; SMN2OPRM1TP53MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114774944-A Electrochemical dehydrogenation method and system for organic hydrogen storage liquid 云南电网有限责任公司电力科学研究院 2022-07-22 CN claimed
CN-112142663-B Synthesis method of (S) -1-phenyl-1, 2,3, 4-tetrahydroisoquinoline 中山奕安泰医药科技有限公司 2022-03-22 CN claimed
EP-2421823-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
WO-2010124086-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed
JP-55122719-A None JP disclosed
CN-114774944-A Electrochemical dehydrogenation method and system for organic hydrogen storage liquid 云南电网有限责任公司电力科学研究院 2022-07-22 CN disclosed
CN-112812060-B Arylation method of tetrahydroquinoline 绍兴文理学院 2022-04-29 CN disclosed
CN-112142663-B Synthesis method of (S) -1-phenyl-1, 2,3, 4-tetrahydroisoquinoline 中山奕安泰医药科技有限公司 2022-03-22 CN disclosed
CN-112812060-A Arylation method of tetrahydroquinoline 绍兴文理学院 2021-05-18 CN disclosed
CN-110683986-B Synthesis method of (S) 1-phenyl-1, 2,3, 4-tetrahydroisoquinoline 中山奕安泰医药科技有限公司 2021-03-23 CN disclosed
CN-112142663-A Synthesis method of (S) -1-phenyl-1, 2,3, 4-tetrahydroisoquinoline 中山奕安泰医药科技有限公司 2020-12-29 CN disclosed
EP-3247771-B1 PYRIDINES AND DERIVATIVES THEREOF AS COMPONENTS FOR USE IN OPTOELECTRONIC COMPONENTS CYNORA GMBH (DE) 2020-06-10 EP disclosed
WO-2016116522-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC COMPONENTS CYNORA GMBH (DE) 2016-07-28 WO disclosed
EP-3048156-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC COMPONENTS cynora GmbH (DE) 2016-07-27 EP disclosed
EP-3048155-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC COMPONENTS cynora GmbH (DE) 2016-07-27 EP disclosed
EP-2043639-A2 PROCESSES FOR PREPARING POLYMORPHIC FORMS OF SOLIFENACIN SUCCINATE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-04-08 EP disclosed
US-20080114028-A1 Process for preparing polymorphic forms of solifenacin succinate TEVA PHARMACEUTICALS USA, INC. 2008-05-15 US disclosed
WO-2008013851-A2 PROCESSES FOR PREPARING POLYMORPHIC FORMS OF SOLIFENACIN SUCCINATE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2008-01-31 WO disclosed
EP-0401782-A2 Titanyl phthalocyanine crystal, method of manufacture thereof and its use for electrophotographic photosensitive material NEC CORPORATION (JP) 1990-12-12 EP disclosed
JP-S55122719-A MEDICINE COMPOSITION HAVING ANTIPYRETIC, ANALGESIC, AND ANTI-INFLAMMATORY ACTION MOCHIDA PHARMACEUT CO LTD 1980-09-20 JP 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 (1 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-20080114028-A1 Process for preparing polymorphic forms of solifenacin succinate SUCNR1, UBE2V1, SUCLG2 ROCK1 4841/4885SIGMAR1 1916/4885SMN1; SMN2 1408/4885

“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.