SCHEMBL14849089

SCHEMBL14849089

O=C(c1cccnc1-c1ccncc1)N1CCC(O)(Cc2ccccn2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP46A1 Q9Y6A2 16/20 1.00
▸ CYP2C9 P11712 2/20 0.79
▸ CYP2C19 P33261 2/20 0.79
▸ CYP3A4 P08684 1/20 0.79
▸ CYP2C8 P10632 1/20 0.79
▸ PKLR P30613 1/20 0.48
▸ AVPR1A P37288 1/20 0.43
▸ THRB P10828 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42

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
SCHEMBL14849014 0.88 CYP46A1 (1.00) CYP46A1CYP2C9CYP2C19CYP3A4CYP2C8
Soticlestat SCHEMBL14841089 0.88 CYP46A1 (1.00) CYP46A1CYP2C9CYP2C19CYP3A4CYP2C8
Soticlestat SCHEMBL29469585 0.88 CYP46A1 (1.00) CYP46A1CYP2C9CYP2C19CYP3A4CYP2C8
SCHEMBL24484631 0.88 CYP46A1 (0.81) CYP46A1CYP2C9CYP2C19CYP3A4CYP2C8
Soticlestat SCHEMBL20473188 0.87 CYP46A1 (0.98) CYP46A1CYP2C9CYP2C19CYP3A4CYP2C8
SCHEMBL22728377 0.86 CYP46A1 (0.75) CYP46A1CYP2C9CYP2C19CYP3A4CYP2C8
SCHEMBL21215249 0.85 CYP46A1 (0.76) CYP46A1CYP2C9CYP2C19CYP3A4CYP2C8
SCHEMBL14848975 0.85 CYP46A1 (0.74) CYP46A1CYP2C9CYP2C19CYP3A4CYP2C8
SCHEMBL14840843 0.83 CYP46A1 (0.83) CYP46A1CYP2C9CYP2C19CYP3A4CYP2C8
SCHEMBL22003320 0.82 CYP46A1 (0.70) CYP46A1CYP2C9CYP2C19CYP3A4CYP2C8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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
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-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
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
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-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-20140088118-A1 HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-27 — — US disclosed
US-20140088146-A1 HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-27 — — US disclosed
US-20140088146-A1 HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-27 — — US disclosed
US-20140088146-A1 HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-27 — — US disclosed
US-20140088118-A1 HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-27 — — US disclosed
US-20140088118-A1 HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-27 — — US disclosed
US-8648079-B2 Heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-02-11 — — US disclosed
US-8648079-B2 Heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-02-11 — — US disclosed
US-20130090341-A1 HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-04-11 — — US disclosed
US-20130090341-A1 HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-04-11 — — 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 (9 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 CYP46A1 3780/4885CYP2C9 4477/4885CYP2C19 4412/4885
US-20190233436-A1 1-ARYLCARBONYL-4-OXY-PIPERIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PSEN1 CYP46A1 3780/4885CYP2C9 4477/4885CYP2C19 4412/4885
US-11174272-B2 1-arylcarbonyl-4-oxy-piperidine compounds useful for the treatment of neurodegenerative diseases SNCA, HTT, PSEN1 CYP46A1 3780/4885CYP2C9 4477/4885CYP2C19 4412/4885
US-10717748-B2 1-arylcarbonyl-4-oxy-piperidine compounds useful for the treatment of neurodegenerative diseases SNCA, HTT, PSEN1 CYP46A1 3780/4885CYP2C9 4477/4885CYP2C19 4412/4885
US-20140088118-A1 HETEROCYCLIC COMPOUNDS HTT, NQO1, BDNF CYP46A1 1579/4885CYP2C9 3038/4885CYP2C19 2980/4885
US-20130090341-A1 HETEROCYCLIC COMPOUNDS HTT, NQO1, BDNF CYP46A1 1579/4885CYP2C9 3038/4885CYP2C19 2980/4885
US-20140088146-A1 HETEROCYCLIC COMPOUNDS HTT, NQO1, BDNF CYP46A1 1579/4885CYP2C9 3038/4885CYP2C19 2980/4885
US-10550129-B2 1-arylcarbonyl-4-oxy-piperidine compounds useful for the treatment of neurodegenerative diseases SNCA, HTT, PSEN1 CYP46A1 3780/4885CYP2C9 4477/4885CYP2C19 4412/4885
US-20210206781-A1 1-ARYLCARBONYL-4-OXY-PIPERIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PSEN1 CYP46A1 3780/4885CYP2C9 4477/4885CYP2C19 4412/4885

“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.

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