SCHEMBL505256

SCHEMBL505256

COC(=O)c1cc(Cl)cc(N)c1N

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.64
GAA P10253 8/20 0.51
NQO2 P16083 3/20 0.49
KDM4E B2RXH2 8/20 0.49
POLB P06746 1/20 0.49
ALDH1A1 P00352 8/20 0.47
HPGD P15428 5/20 0.47
HSD17B10 Q99714 4/20 0.47
MAPT P10636 3/20 0.47
GLA P06280 3/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
ATM Q13315 1/20 0.47
CYP3A4 P08684 1/20 0.47
CFTR P13569 1/20 0.47
SERPINH1 P50454 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44

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
SCHEMBL36846569 0.85 ABL1 (0.64) ABL1GAANQO2KDM4EALDH1A1
SCHEMBL176841 0.85 ABL1 (0.64) ABL1GAANQO2KDM4EALDH1A1
SCHEMBL140598 0.85 KDM4E (0.61) ABL1GAANQO2KDM4EPOLB
SCHEMBL1056378 0.84 ABL1 (0.53) ABL1GAANQO2KDM4EPOLB
SCHEMBL12499408 0.84 ABL1 (0.62) ABL1GAANQO2KDM4EALDH1A1
SCHEMBL1003428 0.84 ABL1 (0.53) ABL1GAANQO2KDM4EPOLB
SCHEMBL31636576 0.84 ABL1 (0.62) ABL1GAANQO2KDM4EALDH1A1
SCHEMBL1549467 0.84 ABL1 (0.62) ABL1GAANQO2KDM4EALDH1A1
SCHEMBL1059617 0.82 ABL1 (0.51) ABL1GAANQO2KDM4EPOLB
SCHEMBL1461725 0.82 ABL1 (0.60) ABL1GAANQO2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12084437-B2 Halo-substituted piperidines as orexin receptor modulators ASTRAZENECA AB (SE) 2024-09-10 US disclosed
US-20220380359-A1 HALO-SUBSTITUTED PIPERIDINES AS OREXIN RECEPTOR MODULATORS NIUVERA BIO, INC. 2022-12-01 US disclosed
US-11434236-B2 Halo-substituted piperidines as orexin receptor modulators ASTRAZENECA AB (SE) 2022-09-06 US disclosed
EP-3414241-B1 HALO-SUBSTITUTED PIPERIDINES AS OREXIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2022-05-04 EP disclosed
CN-109219606-B Halogen substituted piperidines as orexin receptor modulators 阿斯利康(瑞典)有限公司 2021-10-01 CN disclosed
US-20210214348-A1 HALO-SUBSTITUTED PIPERIDINES AS OREXIN RECEPTOR MODULATORS NIUVERA BIO, INC. 2021-07-15 US disclosed
US-10894789-B2 Halo-substituted piperidines as orexin receptor modulators ASTRAZENECA AB (SE) 2021-01-19 US disclosed
CN-107922430-B 2-substituted benzimidazole-4-formamide compound and preparation method and application thereof 中国科学院上海药物研究所 2020-09-04 CN disclosed
US-20190135800-A1 HALO-SUBSTITUTED PIPERIDINES AS OREXIN RECEPTOR MODULATORS EOLAS THERAPEUTICS, INC. 2019-05-09 US disclosed
EP-3414241-A1 HALO-SUBSTITUTED PIPERIDINES AS OREXIN RECEPTOR MODULATORS Astrazeneca AB (SE) 2018-12-19 EP disclosed
CN-104030987-A DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO SA 2014-09-10 CN disclosed
WO-2014092104-A1 OXADIAZOLE DERIVATIVE AND PHARMACEUTICAL USE OF SAME 大日本住友製薬株式会社 (JP) 2014-06-19 WO disclosed
EP-2414328-A2 DIHYDROOROTATE DEHYDROGENASE INHIBITORS Merck Serono S.A. (CH) 2012-02-08 EP disclosed
US-20120028959-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO S.A. (CH) 2012-02-02 US disclosed
US-20120028959-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO S.A. (CH) 2012-02-02 US disclosed
EP-2281819-A1 Benzimidazolyl or benzoxazolyl derivatives Novartis AG (CH) 2011-02-09 EP disclosed
WO-2010115736-A2 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO S.A. (CH) 2010-10-14 WO disclosed
US-20090298824-A1 Organic compounds PRESS NEIL J 2009-12-03 US disclosed
EP-1709015-A1 ORGANIC COMPOUNDS Novartis AG (CH) 2006-10-11 EP disclosed
WO-2005070906-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2005-08-04 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 (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-10894789-B2 Halo-substituted piperidines as orexin receptor modulators HCRTR2, HCRTR1, OPRD1 ABL1 3654/4885GAA 2206/4885NQO2 3567/4885
US-11434236-B2 Halo-substituted piperidines as orexin receptor modulators HCRTR2, HCRTR1, OPRD1 ABL1 3654/4885GAA 2206/4885NQO2 3567/4885
US-20120028959-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS DHODH, FH, DPYD ABL1 3163/4885GAA 318/4885NQO2 5/4885
US-20190135800-A1 HALO-SUBSTITUTED PIPERIDINES AS OREXIN RECEPTOR MODULATORS HCRTR2, HCRTR1, OPRD1 ABL1 3654/4885GAA 2206/4885NQO2 3567/4885
US-20220380359-A1 HALO-SUBSTITUTED PIPERIDINES AS OREXIN RECEPTOR MODULATORS HCRTR2, HCRTR1, OPRD1 ABL1 3654/4885GAA 2206/4885NQO2 3567/4885
US-12084437-B2 Halo-substituted piperidines as orexin receptor modulators HCRTR2, HCRTR1, OPRD1 ABL1 3654/4885GAA 2206/4885NQO2 3567/4885
US-20210214348-A1 HALO-SUBSTITUTED PIPERIDINES AS OREXIN RECEPTOR MODULATORS HCRTR2, HCRTR1, OPRD1 ABL1 3654/4885GAA 2206/4885NQO2 3567/4885
US-20090298824-A1 Organic compounds CXCR2, CXCR3, CXCR1 ABL1 1596/4885GAA 4124/4885NQO2 1278/4885

“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.