SCHEMBL3496085

SCHEMBL3496085

c1ccc2c(c1)nc(-c1ccc(-c3nc(CN4CCCC4)co3)cc1)n2CC1CCC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRKACA P17612 2/20 0.48
RPS6KB1 P23443 2/20 0.48
GSK3B P49841 2/20 0.48
ROCK1 Q13464 2/20 0.48
DRD2 P14416 5/20 0.47
DRD3 P35462 4/20 0.47
DRD4 P21917 3/20 0.47
HRH3 Q9Y5N1 2/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HTR2A P28223 1/20 0.42
HRH1 P35367 1/20 0.42
BRD4 O60885 4/20 0.41
PTGER4 P35408 1/20 0.41
PTGS2 P35354 2/20 0.41
BAZ2A Q9UIF9 2/20 0.41
ALOX5 P09917 1/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL3498756 0.88 HRH3 (0.48) DRD2DRD3DRD4HRH3MEN1
SCHEMBL3497158 0.86 PRKACA (0.46) PRKACARPS6KB1GSK3BROCK1HRH3
SCHEMBL3496157 0.84 DRD2 (0.60) DRD2DRD3DRD4HRH3MEN1
SCHEMBL3497133 0.83 DRD2 (0.58) DRD2DRD3DRD4HRH3MEN1
SCHEMBL3496467 0.83 DRD2 (0.58) DRD2DRD3DRD4HRH3MEN1
SCHEMBL3497458 0.81 ALDH1A1 (0.54) DRD2DRD3DRD4HRH3MEN1
SCHEMBL3498561 0.81 ALDH1A1 (0.55) DRD2DRD3DRD4HRH3MEN1
SCHEMBL3496212 0.79 PTGER4 (0.52) PRKACARPS6KB1GSK3BROCK1BRD4
SCHEMBL13164975 0.76 PTGER4 (0.49) PRKACARPS6KB1GSK3BROCK1DRD2
SCHEMBL3496160 0.74 DRD2 (0.51) DRD2DRD3DRD4HRH3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2170875-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS Wyeth LLC (US) 2010-04-07 EP claimed
US-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 US claimed
WO-2009012252-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 WO claimed
US-7803825-B2 Aminoalkylazole derivatives as histamine-3 antagonists WYETH LLC (US) 2010-09-28 US disclosed
EP-2170875-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS Wyeth LLC (US) 2010-04-07 EP disclosed
WO-2009012252-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 WO 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 PRKACA 2930/4885RPS6KB1 2448/4885GSK3B 4006/4885

“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.