SCHEMBL20792745

SCHEMBL20792745

C=C/C=C\C=C(/C)CC1(O)CCN(C(=O)c2c(-c3ccncc3)nn(C)c2C)CC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP46A1 Q9Y6A2 13/20 0.40
▸ CYP3A4 P08684 3/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ CYP2C8 P10632 1/20 0.37
▸ NAMPT P43490 3/20 0.35
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ USP7 Q93009 1/20 0.32
▸ CCR5 P51681 1/20 0.32

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
SCHEMBL21215199 0.81 CYP46A1 (0.62) CYP46A1CYP3A4CYP2C9CYP2C19CYP2C8
SCHEMBL20792873 0.77 CYP46A1 (0.39) CYP46A1CYP3A4CYP2C9CYP2C19CYP2C8
SCHEMBL14849051 0.77 CYP46A1 (0.66) CYP46A1CYP3A4CYP2C9CYP2C19CYP2C8
SCHEMBL22003286 0.74 CYP46A1 (0.63) CYP46A1CYP3A4CYP2C9CYP2D6TSHR
SCHEMBL20792878 0.68 CYP46A1 (0.49) CYP46A1CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL18596681 0.67 CYP46A1 (0.57) CYP46A1CYP3A4CYP2C9CYP2C19CYP2C8
SCHEMBL14840218 0.60 CYP46A1 (0.66) CYP46A1CYP3A4CYP2C9CYP2C19CYP2C8
SCHEMBL14840643 0.58 CYP46A1 (0.66) CYP46A1CYP3A4CYP2C9CYP2C19CYP2C8
SCHEMBL14848961 0.57 CYP46A1 (1.00) CYP46A1CYP3A4CYP2C9CYP2C19CYP2C8
SCHEMBL16084040 0.57 KMT2A (0.39) CYP3A4CYP2C19ALDH1A1HPGDTSHR

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-20190071455-A1 1-ARYLCARBONYL-4-OXY-PIPERIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES TAKEDA PHARMACEUTICALS CO (JP) 2019-03-07 — — 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-20190071455-A1 1-ARYLCARBONYL-4-OXY-PIPERIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PSEN1 CYP46A1 3780/4885CYP3A4 4375/4885CYP2C9 4477/4885

“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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