SCHEMBL3498596

SCHEMBL3498596

COc1ccc2ncn(Cc3ccc(-c4nc(CN5CCCC5)co4)cc3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.52
BRD4 O60885 1/20 0.48
ABCB1 P08183 5/20 0.47
ABCC1 P33527 3/20 0.47
QPCT Q16769 3/20 0.46
DRD2 P14416 2/20 0.44
DRD4 P21917 2/20 0.44
DRD3 P35462 2/20 0.44
PRMT5 O14744 2/20 0.44
WDR77 Q9BQA1 2/20 0.44
QPCTL Q9NXS2 2/20 0.40
ACP1 P24666 2/20 0.40

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
SCHEMBL3496687 0.99 HRH3 (0.54) HRH3BRD4ABCB1ABCC1QPCT
SCHEMBL3497317 0.93 HRH3 (0.52) HRH3BRD4ABCB1ABCC1QPCT
SCHEMBL3497815 0.92 HRH3 (0.54) HRH3BRD4ABCB1ABCC1QPCT
SCHEMBL3497306 0.88 HRH3 (0.48) HRH3BRD4DRD2DRD4DRD3
SCHEMBL3497062 0.87 HRH3 (0.49) HRH3BRD4DRD2DRD4DRD3
SCHEMBL3494843 0.86 BRD4 (0.47) HRH3BRD4ABCB1ABCC1QPCT
SCHEMBL3497816 0.86 BRD4 (0.47) HRH3BRD4ABCB1ABCC1QPCT
SCHEMBL3188150 0.83 DRD2 (0.56) HRH3DRD2DRD4DRD3
SCHEMBL3495975 0.82 DRD2 (0.55) HRH3DRD2DRD4DRD3
Hydrochloric Acid SCHEMBL3495879 0.82 DRD2 (0.55) HRH3DRD2DRD4DRD3

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 8 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 claimed
EP-2170875-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS Wyeth LLC (US) 2010-04-07 EP claimed
WO-2009012252-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 WO claimed
US-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 US 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 HRH3 2/4885BRD4 1166/4885ABCB1 520/4885

“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.