SCHEMBL21956281

SCHEMBL21956281

Cc1n[nH]c(C(=O)N2CCC(O)(Cc3ccc(F)cc3)CC2)c1-c1ccncc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP46A1 Q9Y6A2 16/20 0.54
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C8 P10632 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ FPR2 P25090 1/20 0.40
▸ PROKR1 Q8TCW9 1/20 0.40
▸ SSTR5 P35346 1/20 0.40
▸ KCNH2 Q12809 1/20 0.39
▸ MAPK11 Q15759 1/20 0.39
▸ MAPK14 Q16539 1/20 0.39

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
SCHEMBL14840678 0.76 CYP46A1 (0.82) CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL14848977 0.75 CYP46A1 (0.60) CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL14848962 0.75 CYP46A1 (0.84) CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL14849081 0.74 CYP46A1 (0.59) CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL14840843 0.73 CYP46A1 (0.83) CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL5234910 0.71 OPRD1 (0.50) CYP3A4CYP2C19SSTR5
SCHEMBL14840218 0.71 CYP46A1 (0.66) CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL14849063 0.70 CYP46A1 (1.00) CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL14849091 0.70 CYP46A1 (0.78) CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL27967465 0.70 CYP46A1 (0.48) CYP46A1SSTR5KCNH2

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-20200157117-A1 1-ARYLCARBONYL-4-OXY-PIPERIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES TAKEDA PHARMACEUTICALS CO (JP) 2020-05-21 — — 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-20200157117-A1 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.

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