SCHEMBL837237

SCHEMBL837237

COC(=O)Cc1ccc(F)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 10/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 3/20 0.47
TP53 P04637 1/20 0.46
ALDH1A1 P00352 2/20 0.44
HSD11B1 P28845 1/20 0.44
KDM4E B2RXH2 1/20 0.44
HTT P42858 1/20 0.44
ALOX15 P16050 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KMT2A Q03164 1/20 0.43

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
SCHEMBL30197770 1.00 P2RX7 (0.48) P2RX7L3MBTL1POLBMAPTTP53
SCHEMBL24875255 0.87 P2RX7 (0.45) P2RX7L3MBTL1MAPTKDM4EKMT2A
SCHEMBL30192787 0.87 P2RX7 (0.45) P2RX7L3MBTL1MAPTKDM4EKMT2A
SCHEMBL3801839 0.84 HTT (0.46) P2RX7L3MBTL1POLBMAPTALDH1A1
SCHEMBL29836179 0.83 SMN1; SMN2 (0.48) P2RX7ALDH1A1
SCHEMBL14186623 0.83 GAA (0.46) L3MBTL1POLBMAPTTP53ALDH1A1
SCHEMBL3967997 0.83 SMN1; SMN2 (0.48) P2RX7ALDH1A1
SCHEMBL837451 0.83 ALDH1A1 (0.56) P2RX7L3MBTL1POLBMAPTTP53
SCHEMBL1525623 0.81 ALDH1A1 (0.54) P2RX7L3MBTL1POLBMAPTTP53
SCHEMBL4711040 0.81 ALDH1A1 (0.51) P2RX7L3MBTL1ALDH1A1KDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118702710-A Method for synthesizing organoboron compound by visible light catalysis 常州大学 2024-09-27 CN disclosed
CN-113149961-B Azabicyclo-substituted triazole derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2022-11-22 CN disclosed
CN-107922437-B Bridged piperidine derivatives 豪夫迈·罗氏有限公司 2021-12-10 CN disclosed
US-20210040073-A1 AZABICYCLO-SUBSTITUTED TRIAZOLE DERIVATIVE, PREPARATION METHOD THEREOF, AND APPLICATION OF SAME IN MEDICINE SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2021-02-11 US disclosed
US-10604517-B2 Bridged piperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2020-03-31 US disclosed
EP-3564231-A1 AZABICYCLO-SUBSTITUTED TRIAZOLE DERIVATIVE, PREPARATION METHOD THEREOF, AND APPLICATION OF SAME IN MEDICINE Jiangsu Hengrui Medicine Co., Ltd. (CN) 2019-11-06 EP disclosed
US-20190031599-A1 INDANE DERIVATIVES AS MGLUR7 MODULATORS TAKEDA CAMBRIDGE LIMITED (GB) 2019-01-31 US disclosed
EP-3408256-A1 INDANE DERIVATIVES AS MGLUR7 MODULATORS Takeda Pharmaceutical Company Limited (JP) 2018-12-05 EP disclosed
US-20180237432-A1 BRIDGED PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-08-23 US disclosed
EP-3347363-A1 BRIDGED PIPERIDINE DERIVATIVES H. Hoffnabb-La Roche Ag (CH) 2018-07-18 EP disclosed
WO-2010112437-A1 1-HETEROCYCLYL-1, 5-DIHYDRO-PYRAZOLO [3, 4-D] PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS PDE9A MODULATORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-07 WO disclosed
CN-101808992-A 1,1,1-trifluoro-2-hydroxy-3-phenylpropane derivatives HOFFMANN LA ROCHE 2010-08-18 CN disclosed
EP-2205562-A1 1,1,1-TRIFLUORO-2-HYDROXY-3-PHENYLPROPANE DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-07-14 EP disclosed
EP-2181992-A1 POLYCYCLIC COMPOUND Eisai R&D Management Co., Ltd. (JP) 2010-05-05 EP disclosed
WO-2009121919-A1 1-HETEROCYCLYL-1,5-DIHYDRO-PYRAZOLO[3,4-D] PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS PDE9A MODULATORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-08 WO disclosed
US-20090088425-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-04-02 US disclosed
WO-2009040288-A1 1,1,1-TRIFLUORO-2-HYDROXY-3-PHENYLPROPANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-04-02 WO disclosed
US-20090062529-A1 MULTI-CYCLIC COMPOUNDS EISAI R&D MANAGEMENT CO., LTD., (JP) 2009-03-05 US disclosed
WO-2003076403-A1 1,2-DISUBSTITUDED-6-OXO-3-PHENYL-PIPERIDINE-3-CARBOXAMIDES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2003-09-18 WO disclosed
US-20030171588-A1 1,2-disubstituted-6-oxo-3-phenyl-piperidine-3-carboxamides and combinatorial libraries thereof LION BIOSCIENCE AG (DE) 2003-09-11 US 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 (7 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-20030171588-A1 1,2-disubstituted-6-oxo-3-phenyl-piperidine-3-carboxamides and combinatorial libraries thereof BRD4, BICRA, HDAC6 P2RX7 269/4885L3MBTL1 3098/4885POLB 3105/4885
US-20180237432-A1 BRIDGED PIPERIDINE DERIVATIVES HPGDS, APP, PSEN1 P2RX7 1217/4885L3MBTL1 795/4885POLB 343/4885
US-10604517-B2 Bridged piperidine derivatives HPGDS, APP, PSEN1 P2RX7 1217/4885L3MBTL1 795/4885POLB 343/4885
US-20190031599-A1 INDANE DERIVATIVES AS MGLUR7 MODULATORS GRM7, GRIN2B, GRM1 P2RX7 86/4885L3MBTL1 2881/4885POLB 4221/4885
US-20090062529-A1 MULTI-CYCLIC COMPOUNDS APP, BACE1, PSEN1 P2RX7 2059/4885L3MBTL1 2006/4885POLB 3970/4885
US-20090088425-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS NR3C1, NR3C2, MC2R P2RX7 990/4885L3MBTL1 2134/4885POLB 3277/4885
US-20210040073-A1 AZABICYCLO-SUBSTITUTED TRIAZOLE DERIVATIVE, PREPARATION METHOD THEREOF, AND APPLICATION OF SAME IN MEDICINE OXTR, CRH, MC2R P2RX7 1741/4885L3MBTL1 4691/4885POLB 3692/4885

“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.