SCHEMBL4517394

SCHEMBL4517394

CC(C(=O)O)c1ccnc(-c2ccc(OC(F)(F)F)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 1/20 0.52
KDM5A P29375 1/20 0.48
KDM2B Q8NHM5 1/20 0.48
KDM4C Q9H3R0 1/20 0.48
KDM5B Q9UGL1 1/20 0.48
ABL1 P00519 2/20 0.44
ADORA3 P0DMS8 1/20 0.44
APP P05067 1/20 0.43
CYP2C19 P33261 1/20 0.43
FAAH O00519 3/20 0.43
SCN9A Q15858 2/20 0.43
GCGR P47871 1/20 0.43
ATP1A1 P05023 1/20 0.42
ATP1B1 P05026 1/20 0.42
ATP1A3 P13637 1/20 0.42
ATP1B2 P14415 1/20 0.42
ATP1A2 P50993 1/20 0.42
ATP1B3 P54709 1/20 0.42
FXYD2 P54710 1/20 0.42
ATP1A4 Q13733 1/20 0.42

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
SCHEMBL2161512 0.83 AKR1C3 (0.59) KDM2BKDM4CAKR1C3AKR1C2PTGS1
SCHEMBL1123024 0.80 PTGS2 (0.59) APPCYP2C19AKR1C3AKR1C2PTGS1
SCHEMBL6272901 0.78 PTGS2 (0.52) APPCYP2C19AKR1C3AKR1C2PTGS1
SCHEMBL9680432 0.78 PTGS2 (0.50) APPCYP2C19AKR1C3AKR1C2PTGS1
SCHEMBL9680427 0.78 PTGS2 (0.50) APPCYP2C19AKR1C3AKR1C2PTGS1
SCHEMBL7962904 0.78 PTGS1 (0.50) AKR1C3AKR1C2PTGS1PTGS2CDC42
SCHEMBL25002931 0.75 SCN10A (0.67) SCN10AKDM5AKDM2BKDM4CKDM5B
SCHEMBL2863908 0.74 SCN10A (0.51) SCN10AKDM5AKDM2BKDM4CKDM5B
SCHEMBL6180227 0.74 SCN10A (0.58) SCN10AKDM5AKDM2BKDM4CKDM5B
SCHEMBL1758489 0.74 SCN10A (0.62) SCN10AKDM5AKDM2BKDM4CKDM5B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7638629-B2 Piperidines and related compounds for treatment of alzheimer's disease Merck Sharp & Dohme Ltd, (GB) 2009-12-29 US disclosed
US-20080021043-A1 Piperidines and Related Compounds for Treatment of Alzheimer's Disease MERCK SHARP & DOHME LTD. (GB) 2008-01-24 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-20080021043-A1 Piperidines and Related Compounds for Treatment of Alzheimer's Disease PSEN1, PSEN2, APP SCN10A 478/4885KDM5A 3615/4885KDM2B 3357/4885

“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.