SCHEMBL14840721

SCHEMBL14840721

O=C(c1c(Br)ccc2c1OCO2)N1CCC(O)(Cc2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PKLR P30613 3/20 0.52
▸ AVPR1A P37288 5/20 0.49
▸ CYP46A1 Q9Y6A2 10/20 0.47
▸ AVPR1B P47901 1/20 0.47
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C8 P10632 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ EPHX2 P34913 1/20 0.41

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
SCHEMBL14840468 0.83 CYP46A1 (0.66) PKLRAVPR1ACYP46A1CYP3A4CYP2C8
SCHEMBL3833018 0.71 AVPR1A (0.62) PKLRAVPR1ACYP46A1AVPR1BCYP3A4
SCHEMBL423788 0.70 AOC3 (0.49) CYP3A4CYP2C19SMN1; SMN2
SCHEMBL21976584 0.70 PKLR (0.68) PKLRSMN1; SMN2
SCHEMBL23581415 0.69 AVPR1A (0.59) PKLRAVPR1ACYP46A1AVPR1BCYP3A4
SCHEMBL27967472 0.68 AOC3 (0.50) CYP3A4SMN1; SMN2
SCHEMBL16049701 0.68 AVPR1A (0.58) PKLRAVPR1ACYP46A1CYP3A4CYP2C8
SCHEMBL16051297 0.68 AVPR1A (0.69) AVPR1ACYP46A1AVPR1BCYP3A4CYP2C8
SCHEMBL6429019 0.68 ALDH1A1 (0.58) PKLRAVPR1ACYP46A1CYP3A4CYP2C8
SCHEMBL30541701 0.67 NR3C2 (0.54) PKLRAVPR1A

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 16 patents. 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-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-20190071455-A1 1-ARYLCARBONYL-4-OXY-PIPERIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES TAKEDA PHARMACEUTICALS CO (JP) 2019-03-07 — — US disclosed
EP-2763979-B1 1-ARYLCARBONYL-4-OXY-PIPERIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES TAKEDA PHARMACEUTICALS CO (JP) 2018-12-26 — — EP disclosed
US-9440990-B2 1-arylcarbonyl-4-oxy-piperidine compounds useful for the treatment of neurodegenerative diseases TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-09-13 — — US disclosed
US-20150376205-A1 1-ARYLCARBONYL-4-OXY-PIPERIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-12-31 — — US disclosed
US-9193709-B2 1-arylcarbonyl-4-oxy-piperidine compounds useful for the treatment of neurodegenerative diseases TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-11-24 — — US disclosed
US-8871766-B2 Heterocyclic compounds TAKEDA PHARMACEUTICAL CO., LTD. (JP) 2014-10-28 — — US disclosed
US-8865717-B2 Heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-10-21 — — US disclosed
US-20140228373-A1 1-ARYLCARBONYL-4-OXY-PIPERIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-08-14 — — 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-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

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-20150376205-A1 1-ARYLCARBONYL-4-OXY-PIPERIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, PSEN1, HTT PKLR 4409/4885AVPR1A 3105/4885CYP46A1 3483/4885
US-20190233436-A1 1-ARYLCARBONYL-4-OXY-PIPERIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PSEN1 PKLR 4478/4885AVPR1A 3346/4885CYP46A1 3780/4885
US-11174272-B2 1-arylcarbonyl-4-oxy-piperidine compounds useful for the treatment of neurodegenerative diseases SNCA, HTT, PSEN1 PKLR 4478/4885AVPR1A 3346/4885CYP46A1 3780/4885
US-20140228373-A1 1-ARYLCARBONYL-4-OXY-PIPERIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, PSEN1, HTT PKLR 4409/4885AVPR1A 3105/4885CYP46A1 3483/4885
US-20140088118-A1 HETEROCYCLIC COMPOUNDS HTT, NQO1, BDNF PKLR 4034/4885AVPR1A 2353/4885CYP46A1 1579/4885
US-20130090341-A1 HETEROCYCLIC COMPOUNDS HTT, NQO1, BDNF PKLR 4034/4885AVPR1A 2353/4885CYP46A1 1579/4885
US-20140088146-A1 HETEROCYCLIC COMPOUNDS HTT, NQO1, BDNF PKLR 4034/4885AVPR1A 2353/4885CYP46A1 1579/4885
US-10550129-B2 1-arylcarbonyl-4-oxy-piperidine compounds useful for the treatment of neurodegenerative diseases SNCA, HTT, PSEN1 PKLR 4478/4885AVPR1A 3346/4885CYP46A1 3780/4885
US-20190071455-A1 1-ARYLCARBONYL-4-OXY-PIPERIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PSEN1 PKLR 4478/4885AVPR1A 3346/4885CYP46A1 3780/4885
US-20210206781-A1 1-ARYLCARBONYL-4-OXY-PIPERIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PSEN1 PKLR 4478/4885AVPR1A 3346/4885CYP46A1 3780/4885

“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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