SCHEMBL3496212

SCHEMBL3496212

O=C(O)c1coc(-c2ccc(-c3nc4ccccc4n3CC3CCC3)cc2)n1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 8/20 0.52
PRKACA P17612 1/20 0.48
RPS6KB1 P23443 1/20 0.48
GSK3B P49841 1/20 0.48
ROCK1 Q13464 1/20 0.48
BRD4 O60885 8/20 0.46
KDM4E B2RXH2 2/20 0.45
HSD17B10 Q99714 2/20 0.45
BAZ2A Q9UIF9 2/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
ABCC1 P33527 1/20 0.43

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
SCHEMBL13164975 0.89 PTGER4 (0.49) PTGER4PRKACARPS6KB1GSK3BROCK1
SCHEMBL3496135 0.87 OGFRL1 (0.47) PTGER4BRD4KDM4EHSD17B10BAZ2A
SCHEMBL3496085 0.79 PRKACA (0.48) PTGER4PRKACARPS6KB1GSK3BROCK1
SCHEMBL13164978 0.77 BRD4 (0.45) PTGER4BRD4KDM4EBAZ2AALDH1A1
SCHEMBL3497158 0.76 PRKACA (0.46) PTGER4PRKACARPS6KB1GSK3BROCK1
SCHEMBL3495473 0.71 PTPN1 (0.48) ALDH1A1
SCHEMBL2866244 0.69 HDAC1 (0.71) ALDH1A1
SCHEMBL287420 0.69 ALDH1A1 (0.74) ALDH1A1
SCHEMBL15774961 0.69 PTGER4 (1.00) PTGER4
SCHEMBL22029484 0.68 BRD4 (0.51) PTGER4PRKACARPS6KB1GSK3BROCK1

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-7803825-B2 Aminoalkylazole derivatives as histamine-3 antagonists WYETH LLC (US) 2010-09-28 US disclosed
US-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 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-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS HRH4, HRH3, HRH2 PTGER4 677/4885PRKACA 2930/4885RPS6KB1 2448/4885

“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.