SCHEMBL2863908

SCHEMBL2863908

O=C(O)Cc1ccnc(-c2ccc(OC(F)(F)F)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 1/20 0.51
KDM5A P29375 1/20 0.47
KDM2B Q8NHM5 1/20 0.47
KDM4C Q9H3R0 1/20 0.47
KDM5B Q9UGL1 1/20 0.47
LOXL2 Q9Y4K0 1/20 0.46
ABL1 P00519 2/20 0.46
GABRP O00591 1/20 0.46
GABRD O14764 1/20 0.46
GABRA1 P14867 1/20 0.46
GABRB1 P18505 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
GABRA2 P47869 1/20 0.46
GABRB2 P47870 1/20 0.46
GABRA4 P48169 1/20 0.46
GABRE P78334 1/20 0.46
GABRA6 Q16445 1/20 0.46

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
SCHEMBL27699319 0.87 FFAR1 (0.53) SCN10AKDM5AKDM2BKDM4CKDM5B
SCHEMBL8269810 0.86 SCN10A (0.54) SCN10AKDM5AKDM2BKDM4CKDM5B
SCHEMBL2712689 0.82 PSEN1 (0.59) KDM2BKDM4CLOXL2GABRPGABRD
SCHEMBL6180999 0.82 TLR7 (0.49) SCN10AKDM5AKDM2BKDM4CKDM5B
SCHEMBL10163809 0.82 SCN10A (0.50) SCN10AKDM5AKDM2BKDM4CKDM5B
SCHEMBL3720194 0.81 LOXL2 (0.54) SCN10AKDM5AKDM2BKDM4CKDM5B
SCHEMBL13044942 0.81 SCN10A (0.46) SCN10AKDM5AKDM2BKDM4CKDM5B
SCHEMBL5956384 0.79 SCN10A (0.47) SCN10AKDM5AKDM2BKDM4CKDM5B
SCHEMBL23972417 0.77 NR1H2 (0.53) MRGPRX4PPARDPTGS2
SCHEMBL894045 0.77 TRPA1 (0.50) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1805141-B1 PIPERIDINES AND RELATED COMPOUNDS FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (GB) 2010-01-20 EP disclosed
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
EP-1805141-A1 PIPERIDINES AND RELATED COMPOUNDS FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME LTD. (GB) 2007-07-11 EP disclosed
WO-2006043064-A1 PIPERIDINES AND RELATED COMPOUNDS FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME LIMITED (GB) 2006-04-27 WO 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.