SCHEMBL4176477

SCHEMBL4176477

COC(=O)c1ccc2cc(OCC(=O)OC(C)(C)C)ccc2n1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 10/20 0.44
PDE3B Q13370 3/20 0.42
PDE3A Q14432 3/20 0.42
P2RY12 Q9H244 3/20 0.42
SCN10A Q9Y5Y9 2/20 0.41
CYSLTR2 Q9NS75 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.40
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
IDH1 O75874 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPT P10636 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
SCHEMBL4162437 0.84 PTPN7 (0.54) SCN9APDE3BPDE3AP2RY12SCN10A
SCHEMBL21200606 0.83 LCK (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21865489 0.83 KDM4E (0.43) SCN9ASCN10AKDM4ENPC1RAB9A
SCHEMBL18940463 0.80 MAPK1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7342388 0.78 HDAC8 (0.55) KDM4EALDH1A1MAPT
SCHEMBL629635 0.77 SMN1; SMN2 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5697665 0.76 PTPN7 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21865487 0.76 MEN1 (0.57) CYSLTR1KDM4ENPC1RAB9AALDH1A1
SCHEMBL23733198 0.75 LMNA (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL23413042 0.74 CYSLTR2 (0.47) PDE3BPDE3AP2RY12CYSLTR2CYSLTR1

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-20090197914-A1 Piperidine Derivatives, Their Process for Preparation, Their Use as Therapeutic Agents and Pharmaceutical Compositions Containing Them ASTRAZENECA AB (SE) 2009-08-06 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-20090197914-A1 Piperidine Derivatives, Their Process for Preparation, Their Use as Therapeutic Agents and Pharmaceutical Compositions Containing Them CCR3, CCR1, CCR4 SCN9A 2221/4885PDE3B 61/4885PDE3A 58/4885

“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.