SCHEMBL3497306

SCHEMBL3497306

Cc1ccc2ncn(Cc3ccc(-c4nc(CN5CCCC5)co4)cc3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.48
DRD2 P14416 3/20 0.47
DRD4 P21917 2/20 0.47
DRD3 P35462 2/20 0.47
KCNH2 Q12809 2/20 0.44
CYP11B1 P15538 2/20 0.42
CYP11B2 P19099 2/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
BRD4 O60885 7/20 0.42
EP300 Q09472 1/20 0.42
CREBBP Q92793 1/20 0.42
HTR2A P28223 1/20 0.40
HRH1 P35367 1/20 0.40
CACNB4 O00305 1/20 0.39
CACNA1A O00555 1/20 0.39
CACNA1G O43497 1/20 0.39
CACNG3 O60359 1/20 0.39
CACNA1F O60840 1/20 0.39

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
SCHEMBL3497062 0.99 HRH3 (0.49) HRH3DRD2DRD4DRD3KCNH2
SCHEMBL3497726 0.92 HRH3 (0.48) HRH3DRD2DRD4DRD3KCNH2
SCHEMBL3497351 0.91 HRH3 (0.49) HRH3DRD2DRD4DRD3KCNH2
SCHEMBL3498596 0.88 HRH3 (0.52) HRH3DRD2DRD4DRD3BRD4
SCHEMBL3496687 0.87 HRH3 (0.54) HRH3DRD2DRD4DRD3BRD4
SCHEMBL3188150 0.86 DRD2 (0.56) HRH3DRD2DRD4DRD3CYP11B1
SCHEMBL3496123 0.85 KMT2A (0.41) HRH3KCNH2CYP11B1CYP11B2LMNA
SCHEMBL3495975 0.85 DRD2 (0.55) HRH3DRD2DRD4DRD3CYP11B1
Hydrochloric Acid SCHEMBL3495879 0.85 DRD2 (0.55) HRH3DRD2DRD4DRD3CYP11B1
SCHEMBL3496245 0.85 DRD2 (0.55) HRH3DRD2DRD4DRD3CYP11B1

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
US-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 US disclosed
WO-2009012252-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 WO 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.