SCHEMBL3497133

SCHEMBL3497133

c1ccc(-c2nc3ccccc3n2Cc2ccc(-c3nc(CN4CCCCC4)co3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.58
DRD4 P21917 2/20 0.58
DRD3 P35462 2/20 0.58
ALDH1A1 P00352 6/20 0.55
PDE6D O43924 1/20 0.55
ALDH2 P05091 1/20 0.55
ALDH3A1 P30838 1/20 0.55
TP53 P04637 3/20 0.54
ESR1 P03372 3/20 0.53
CYP1A2 P05177 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HRH3 Q9Y5N1 2/20 0.48
LMNA P02545 2/20 0.48
HTT P42858 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL3496467 1.00 DRD2 (0.58) DRD2DRD4DRD3ALDH1A1PDE6D
SCHEMBL3496157 0.99 DRD2 (0.60) DRD2DRD4DRD3ALDH1A1PDE6D
SCHEMBL3498762 0.84 DRD2 (0.51) DRD2DRD4DRD3ALDH1A1ESR1
SCHEMBL3498439 0.84 DRD2 (0.51) DRD2DRD4DRD3ALDH1A1ESR1
SCHEMBL3498561 0.83 ALDH1A1 (0.55) DRD2DRD4DRD3ALDH1A1TP53
SCHEMBL3496085 0.83 PRKACA (0.48) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL3496759 0.83 TP53 (0.51) DRD2DRD4DRD3ALDH1A1PDE6D
SCHEMBL3497905 0.83 TP53 (0.51) DRD2DRD4DRD3ALDH1A1PDE6D
SCHEMBL3498756 0.83 HRH3 (0.48) DRD2DRD4DRD3ALDH1A1ESR1
SCHEMBL3497458 0.82 ALDH1A1 (0.54) DRD2DRD4DRD3ALDH1A1TP53

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
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 DRD2 419/4885DRD4 1020/4885DRD3 224/4885

“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.