SCHEMBL22218935

SCHEMBL22218935

O=C(c1ccccc1-c1ccccn1)N1CCC(O)(Cc2ccccc2)CC1

nearest known ligand 0.78

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP46A1 Q9Y6A2 16/20 0.78
▸ CYP3A4 P08684 1/20 0.64
▸ CYP2C8 P10632 1/20 0.64
▸ CYP2C9 P11712 1/20 0.64
▸ CYP2C19 P33261 1/20 0.64
▸ AVPR1A P37288 1/20 0.60
▸ ALDH1A1 P00352 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ SLC6A7 Q99884 1/20 0.48
▸ TACR1 P25103 1/20 0.47

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
SCHEMBL14840778 0.88 CYP46A1 (1.00) CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL20775970 0.88 CYP46A1 (0.81) CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL14849013 0.85 CYP46A1 (1.00) CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL14849067 0.83 CYP46A1 (0.80) CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL14840498 0.81 CYP46A1 (0.69) CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL14849031 0.80 CYP46A1 (0.85) CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL14849017 0.80 CYP46A1 (1.00) CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL14849064 0.78 CYP46A1 (0.79) CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL14840550 0.78 CYP46A1 (0.80) CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL14848968 0.78 CYP46A1 (0.80) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-10717748-B2 1-arylcarbonyl-4-oxy-piperidine compounds useful for the treatment of neurodegenerative diseases SNCA, HTT, PSEN1 CYP46A1 3780/4885CYP3A4 4375/4885CYP2C8 4750/4885

“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.

Send feedback