SCHEMBL3497351

SCHEMBL3497351

Cc1ccc2c(c1)ncn2Cc1ccc(-c2nc(CN3CCCCCC3)co2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.49
DRD2 P14416 3/20 0.46
DRD4 P21917 2/20 0.46
DRD3 P35462 2/20 0.46
CACNB4 O00305 4/20 0.43
CACNA1A O00555 4/20 0.43
CACNA1G O43497 4/20 0.43
CACNG3 O60359 4/20 0.43
CACNA1F O60840 4/20 0.43
CACNA1H O95180 4/20 0.43
CACNB3 P54284 4/20 0.43
CACNA2D1 P54289 4/20 0.43
CACNG7 P62955 4/20 0.43
CACNA1B Q00975 4/20 0.43
CACNA1D Q01668 4/20 0.43
CACNB1 Q02641 4/20 0.43
CACNG1 Q06432 4/20 0.43
CACNB2 Q08289 4/20 0.43
CACNA1S Q13698 4/20 0.43
CACNA1C Q13936 4/20 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
SCHEMBL3497726 0.99 HRH3 (0.48) HRH3DRD2DRD4DRD3CACNB4
SCHEMBL3497062 0.92 HRH3 (0.49) HRH3DRD2DRD4DRD3CACNB4
SCHEMBL3497306 0.91 HRH3 (0.48) HRH3DRD2DRD4DRD3CACNB4
SCHEMBL3497815 0.88 HRH3 (0.54) HRH3DRD2DRD4DRD3BRD4
SCHEMBL3497317 0.87 HRH3 (0.52) HRH3DRD2DRD4DRD3BRD4
SCHEMBL3495975 0.86 DRD2 (0.55) HRH3DRD2DRD4DRD3SMN1; SMN2
SCHEMBL3496245 0.86 DRD2 (0.55) HRH3DRD2DRD4DRD3SMN1; SMN2
SCHEMBL3188150 0.85 DRD2 (0.56) HRH3DRD2DRD4DRD3SMN1; SMN2
SCHEMBL3497690 0.84 BRD4 (0.41) HRH3DRD2DRD4DRD3BRD4
Hydrochloric Acid SCHEMBL3495879 0.84 DRD2 (0.55) HRH3DRD2DRD4DRD3SMN1; SMN2

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 2/4885DRD2 419/4885DRD4 1020/4885

“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.