SCHEMBL2301103

SCHEMBL2301103

O=C(O)c1ncccc1OC(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
MAPT P10636 2/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP3A4 P08684 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
BLM P54132 1/20 0.50
AGER Q15109 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
RXRG P48443 1/20 0.47
DHODH Q02127 1/20 0.46
HCRTR1 O43613 3/20 0.46
CYP1A2 P05177 1/20 0.45
TLR7 Q9NYK1 1/20 0.45
MYC P01106 1/20 0.41
AURKA O14965 1/20 0.41
NAPRT Q6XQN6 1/20 0.41

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
SCHEMBL30368262 1.00 KDM4E (0.50) KDM4EMAPTALDH1A1CYP3A4ALOX15
SCHEMBL15142683 0.85 SMN1; SMN2 (0.45) CYP3A4RXRARXRBRXRGHCRTR1
SCHEMBL31471005 0.82 L3MBTL1 (0.53) ALOX15L3MBTL1DHODHHCRTR1TLR7
SCHEMBL8883104 0.80 RXRA (0.55) RXRARXRBRXRGDHODHTLR7
SCHEMBL459180 0.80 MAPT (0.47) KDM4EMAPTALDH1A1CYP3A4ALOX15
SCHEMBL31307011 0.79 BRD4 (0.53) KDM4EMAPTALDH1A1HCRTR1TLR7
SCHEMBL4425717 0.78 KDM4E (0.57) KDM4EMAPTALDH1A1CYP3A4ALOX15
SCHEMBL16571480 0.78 HCRTR1 (0.40) DHODHHCRTR1TLR7HCRTR2HSD17B13
SCHEMBL28299864 0.77 TLR7 (0.41) RXRARXRBRXRGDHODHHCRTR1
SCHEMBL27436417 0.77 MRGPRX4 (0.53) RXRARXRBRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109956929-B Heterocyclic derivative, preparation method, pharmaceutical composition and application thereof 上海迪诺医药科技有限公司 2023-09-19 CN disclosed
CN-110156656-B Five-membered heteroaromatic ring derivative, preparation method thereof, pharmaceutical composition and application 上海迪诺医药科技有限公司 2023-04-07 CN disclosed
EP-3856178-A1 MONOACYLGLYCEROL LIPASE MODULATORS Janssen Pharmaceutica NV (BE) 2021-08-04 EP disclosed
EP-3287441-B1 ACYLATED 4-AMINOPIPERIDINES AS INHIBITORS OF SERINE PALMITOYLTRANSFERASE TAKEDA PHARMACEUTICALS CO (JP) 2021-06-09 EP disclosed
EP-3107898-B1 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICALS CO (JP) 2021-01-06 EP disclosed
US-10689373-B2 1,2-substituted cyclopentanes as orexin receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-06-23 US disclosed
WO-2020065613-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 WO disclosed
CN-109956929-A Hete rocyclic derivatives, preparation method, pharmaceutical composition and application 上海迪诺医药科技有限公司 2019-07-02 CN disclosed
CN-106164047-B 1,2- substituted cyclopentane as orexin receptor antagonists 武田药品工业株式会社 2019-04-16 CN disclosed
US-10189785-B2 Heterocyclic compound TAKEDA PHARMACEUTICALS COMPANY LIMITED (JP) 2019-01-29 US disclosed
EP-3107898-A1 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS Takeda Pharmaceutical Company Limited (JP) 2016-12-28 EP disclosed
CN-106164047-A 1,2 substituted cyclopentanes as orexin receptor antagonists 武田药品工业株式会社 2016-11-23 CN disclosed
US-9156829-B2 Cycloalkyl and heterocycloalkyl compounds as orexin receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-10-13 US disclosed
WO-2015124932-A1 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS TAKEDA CAMBRIDGE LIMITED (GB) 2015-08-27 WO disclosed
US-20150232460-A1 NOVEL COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-08-20 US disclosed
US-20140171430-A1 DISUBSTITUTED OCTAHYDROPYRROLO [3,4-C] PYRROLES AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-06-19 US disclosed
WO-2012145581-A1 DISUBSTITUTED OCTAHY-DROPYRROLO [3,4-C] PYRROLES AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2012-10-26 WO disclosed
EP-2350008-B1 METHOD FOR THE PREPARATION OF FUNCTIONALIZED TRIHALOMETHOXY SUBSTITUTED PYRIDINES BAYER CROPSCIENCE AG (DE) 2012-09-05 EP disclosed
EP-2350008-A1 METHOD FOR THE PREPARATION OF FUNCTIONALIZED TRIHALOMETHOXY SUBSTITUTED PYRIDINES Bayer CropScience AG (DE) 2011-08-03 EP disclosed
WO-2010040461-A1 METHOD FOR THE PREPARATION OF FUNCTIONALIZED TRIHALOMETHOXY SUBSTITUTED PYRIDINES BAYER CROPSCIENCE AG (DE) 2010-04-15 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-10189785-B2 Heterocyclic compound SPTLC1, SPTLC2, NPC1 KDM4E 3051/4885MAPT 2506/4885ALDH1A1 2775/4885
US-20140171430-A1 DISUBSTITUTED OCTAHYDROPYRROLO [3,4-C] PYRROLES AS OREXIN RECEPTOR MODULATORS HCRTR2, HCRTR1, OXTR KDM4E 454/4885MAPT 785/4885ALDH1A1 3132/4885
US-10689373-B2 1,2-substituted cyclopentanes as orexin receptor antagonists HCRTR1, HCRTR2, NPY1R KDM4E 1117/4885MAPT 1971/4885ALDH1A1 570/4885
US-20150232460-A1 NOVEL COMPOUNDS CNKSR1, RDX, RB1 KDM4E 1465/4885MAPT 4073/4885ALDH1A1 531/4885

“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.