SCHEMBL17367337

SCHEMBL17367337

O=C(c1ccc(F)cc1-c1ccncn1)N1CCC(O)(Cc2ccccc2O)CC1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CYP46A1 Q9Y6A2 17/20 0.61
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C8 P10632 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ CASP6 P55212 1/20 0.39
▸ HCRTR1 O43613 1/20 0.39
▸ HCRTR2 O43614 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.37

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
SCHEMBL14848963 0.88 CYP46A1 (0.79) CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL14840742 0.88 CYP46A1 (0.57) CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL14848971 0.86 CYP46A1 (0.79) CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL14849020 0.86 CYP46A1 (0.69) CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL14849026 0.82 CYP46A1 (0.75) CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL14841086 0.81 CYP46A1 (0.62) CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL14840945 0.81 CYP46A1 (0.58) CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL14849036 0.81 CYP46A1 (0.79) CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL14840265 0.81 CYP46A1 (0.61) CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL14849031 0.81 CYP46A1 (0.85) CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 CYP46A1 3483/4885CYP3A4 4115/4885CYP2C8 4700/4885

“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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