SCHEMBL14848978

SCHEMBL14848978

Cc1nc(-c2ccncn2)c(C(=O)N2CCC(O)(Cc3cccc(F)c3F)CC2)s1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP46A1 Q9Y6A2 15/20 0.47
▸ PKLR P30613 2/20 0.45
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C8 P10632 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ NAMPT P43490 1/20 0.34

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
SCHEMBL14849113 0.87 CYP46A1 (0.45) CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL14849047 0.84 CYP46A1 (0.54) CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL14848970 0.84 CYP46A1 (0.66) CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL14849076 0.84 CYP46A1 (0.50) CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL14849039 0.84 CYP46A1 (0.65) CYP46A1PKLRCYP3A4CYP2C8CYP2C9
SCHEMBL14840698 0.79 CYP46A1 (0.52) CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL21215240 0.76 CYP46A1 (0.41) CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL20590753 0.74 PKLR (0.52) CYP46A1PKLRCYP3A4CYP2C8CYP2C9
SCHEMBL14849026 0.72 CYP46A1 (0.75) CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL14849098 0.72 CYP46A1 (0.69) CYP46A1PKLRCYP3A4CYP2C8CYP2C9

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-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-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 3780/4885PKLR 4478/4885CYP3A4 4375/4885
US-20190233436-A1 1-ARYLCARBONYL-4-OXY-PIPERIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PSEN1 CYP46A1 3780/4885PKLR 4478/4885CYP3A4 4375/4885
US-11174272-B2 1-arylcarbonyl-4-oxy-piperidine compounds useful for the treatment of neurodegenerative diseases SNCA, HTT, PSEN1 CYP46A1 3780/4885PKLR 4478/4885CYP3A4 4375/4885
US-10717748-B2 1-arylcarbonyl-4-oxy-piperidine compounds useful for the treatment of neurodegenerative diseases SNCA, HTT, PSEN1 CYP46A1 3780/4885PKLR 4478/4885CYP3A4 4375/4885
US-20140088118-A1 HETEROCYCLIC COMPOUNDS HTT, NQO1, BDNF CYP46A1 1579/4885PKLR 4034/4885CYP3A4 3310/4885
US-20130090341-A1 HETEROCYCLIC COMPOUNDS HTT, NQO1, BDNF CYP46A1 1579/4885PKLR 4034/4885CYP3A4 3310/4885
US-20140088146-A1 HETEROCYCLIC COMPOUNDS HTT, NQO1, BDNF CYP46A1 1579/4885PKLR 4034/4885CYP3A4 3310/4885
US-10550129-B2 1-arylcarbonyl-4-oxy-piperidine compounds useful for the treatment of neurodegenerative diseases SNCA, HTT, PSEN1 CYP46A1 3780/4885PKLR 4478/4885CYP3A4 4375/4885
US-20210206781-A1 1-ARYLCARBONYL-4-OXY-PIPERIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PSEN1 CYP46A1 3780/4885PKLR 4478/4885CYP3A4 4375/4885

“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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