SCHEMBL827156

SCHEMBL827156

O=[C]OCC1=CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
ALOX15 P16050 1/20 0.39
USP2 O75604 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
MGMT P16455 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCNA1 P78396 1/20 0.35
PKM P14618 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
RAB9A P51151 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
NPC1 O15118 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CXCR3 P49682 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL827064 0.94
SCHEMBL17995124 0.83
SCHEMBL9414387 0.76 ALDH1A1 (0.40) ALDH1A1ALOX15USP2NPSR1CDK1
SCHEMBL10881322 0.74 CXCR3 (0.41) ALDH1A1ALOX15USP2NPSR1CDK1
SCHEMBL10881311 0.74 CXCR3 (0.41) ALDH1A1ALOX15USP2NPSR1CDK1
SCHEMBL10881315 0.74 CXCR3 (0.41) ALDH1A1ALOX15USP2NPSR1CDK1
SCHEMBL17995131 0.73
SCHEMBL1145857 0.72
SCHEMBL695208 0.72
SCHEMBL1050390 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5045108-A Herbicidal and plant growth-regulating N-aryl-pyrrol-L-one and isoindol-2-one compounds BAYER AKTIENGESELLSCHAFT (DE) 1991-09-03 US claimed
US-11174272-B2 1-arylcarbonyl-4-oxy-piperidine compounds useful for the treatment of neurodegenerative diseases TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-11-16 US disclosed
CN-107428700-B 9-membered fused ring derivative 盐野义制药株式会社 2021-08-03 CN disclosed
US-20210206781-A1 1-ARYLCARBONYL-4-OXY-PIPERIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES TAKEDA PHARMACEUTICALS CO (JP) 2021-07-08 US disclosed
US-10717748-B2 1-arylcarbonyl-4-oxy-piperidine compounds useful for the treatment of neurodegenerative diseases TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-07-21 US disclosed
EP-3670496-A2 ACC2 INHIBITORS Shionogi&Co., Ltd. (JP) 2020-06-24 EP disclosed
US-20200157117-A1 1-ARYLCARBONYL-4-OXY-PIPERIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES TAKEDA PHARMACEUTICALS CO (JP) 2020-05-21 US disclosed
US-10550129-B2 1-arylcarbonyl-4-oxy-piperidine compounds useful for the treatment of neurodegenerative diseases TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-02-04 US disclosed
EP-2982666-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2019-08-07 EP disclosed
US-20190233436-A1 1-ARYLCARBONYL-4-OXY-PIPERIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES TAKEDA PHARMACEUTICALS CO (JP) 2019-08-01 US disclosed
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 US disclosed
US-20090270361-A1 Substituted pyrazole derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 US disclosed
WO-2009119880-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-01 WO disclosed
US-20090163488-A1 FUSED HETEROCYCLE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-25 US disclosed
US-20090137595-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 US disclosed
EP-2049541-A2 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-04-22 EP disclosed
WO-2008150015-A1 HETEROBICYCLIC COMPOUNDS AS KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-11 WO disclosed
WO-2008016192-A2 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-02-07 WO disclosed
US-5045108-A Herbicidal and plant growth-regulating N-aryl-pyrrol-L-one and isoindol-2-one compounds BAYER AKTIENGESELLSCHAFT (DE) 1991-09-03 US disclosed
EP-0403891-A1 N-Aryl-nitrogen-heterocyclic compounds BAYER AG (DE) 1990-12-27 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 (10 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-20200157117-A1 1-ARYLCARBONYL-4-OXY-PIPERIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PSEN1 ALDH1A1 101/4885ALOX15 1345/4885USP2 3807/4885
US-20090270361-A1 Substituted pyrazole derivatives and use thereof CBR3, CBR1, NOX5 ALDH1A1 1105/4885ALOX15 1229/4885USP2 4488/4885
US-20190233436-A1 1-ARYLCARBONYL-4-OXY-PIPERIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PSEN1 ALDH1A1 101/4885ALOX15 1345/4885USP2 3807/4885
US-20090137595-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF KDR, FLT1, FLT4 ALDH1A1 182/4885ALOX15 2826/4885USP2 4487/4885
US-11174272-B2 1-arylcarbonyl-4-oxy-piperidine compounds useful for the treatment of neurodegenerative diseases SNCA, HTT, PSEN1 ALDH1A1 101/4885ALOX15 1345/4885USP2 3807/4885
US-10717748-B2 1-arylcarbonyl-4-oxy-piperidine compounds useful for the treatment of neurodegenerative diseases SNCA, HTT, PSEN1 ALDH1A1 101/4885ALOX15 1345/4885USP2 3807/4885
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AR, NR5A1, NR3C2 ALDH1A1 816/4885ALOX15 3959/4885USP2 4590/4885
US-10550129-B2 1-arylcarbonyl-4-oxy-piperidine compounds useful for the treatment of neurodegenerative diseases SNCA, HTT, PSEN1 ALDH1A1 101/4885ALOX15 1345/4885USP2 3807/4885
US-20090163488-A1 FUSED HETEROCYCLE DERIVATIVES AND USE THEREOF NOX3, NOX5, ZYX ALDH1A1 2812/4885ALOX15 2802/4885USP2 3600/4885
US-20210206781-A1 1-ARYLCARBONYL-4-OXY-PIPERIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PSEN1 ALDH1A1 101/4885ALOX15 1345/4885USP2 3807/4885

“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.