SCHEMBL3497807

SCHEMBL3497807

Cc1ccc2nc(C)n(Cc3ccc(-c4nc(CN5CCCC5)co4)cc3)c2c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.54
DRD2 P14416 3/20 0.47
DRD4 P21917 2/20 0.47
DRD3 P35462 2/20 0.47
HRH3 Q9Y5N1 2/20 0.46
SPHK1 Q9NYA1 6/20 0.42
BRD4 O60885 1/20 0.41
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTR2A P28223 1/20 0.39
HRH1 P35367 1/20 0.39
SPHK2 Q9NRA0 1/20 0.38

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
SCHEMBL3497633 0.99 KCNH2 (0.53) KCNH2DRD2DRD4DRD3HRH3
SCHEMBL3496553 0.92 DRD2 (0.47) KCNH2DRD2DRD4DRD3HRH3
SCHEMBL3496461 0.91 HRH3 (0.48) KCNH2DRD2DRD4DRD3HRH3
SCHEMBL3497338 0.85 SPHK1 (0.49) KCNH2HRH3SPHK1BRD4SPHK2
SCHEMBL3497306 0.83 HRH3 (0.48) KCNH2DRD2DRD4DRD3HRH3
SCHEMBL3497062 0.82 HRH3 (0.49) KCNH2DRD2DRD4DRD3HRH3
SCHEMBL3497726 0.79 HRH3 (0.48) KCNH2DRD2DRD4DRD3HRH3
SCHEMBL3497351 0.78 HRH3 (0.49) KCNH2DRD2DRD4DRD3HRH3
SCHEMBL3497325 0.78 KMT2A (0.43) KCNH2DRD2DRD4DRD3HRH3
SCHEMBL3496157 0.77 DRD2 (0.60) KCNH2DRD2DRD4DRD3HRH3

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 4 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
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
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 KCNH2 401/4885DRD2 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.