SCHEMBL3726435

SCHEMBL3726435

COc1ccc2c(c1)ncn2Cc1ccc(C(=O)N(C)C2CCN(C(C)C)C2)cc1

nearest known ligand 0.75

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.75
KCNH2 Q12809 1/20 0.47
MCHR1 Q99705 3/20 0.43
EPHX2 P34913 1/20 0.41
PPARG P37231 1/20 0.41
BRD4 O60885 1/20 0.40
F10 P00742 1/20 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
SCHEMBL3726432 1.00 HRH3 (0.75) HRH3KCNH2MCHR1EPHX2PPARG
SCHEMBL3631388 0.95 HRH3 (0.67) HRH3KCNH2MCHR1EPHX2PPARG
SCHEMBL3803362 0.93 HRH3 (0.75) HRH3KCNH2MCHR1BRD4
SCHEMBL3803363 0.93 HRH3 (0.75) HRH3KCNH2MCHR1BRD4
SCHEMBL3665850 0.89 HRH3 (0.79) HRH3KCNH2MCHR1BRD4
SCHEMBL3725670 0.89 HRH3 (0.79) HRH3KCNH2MCHR1BRD4
SCHEMBL3665853 0.89 HRH3 (0.79) HRH3KCNH2MCHR1BRD4
SCHEMBL3725673 0.89 HRH3 (0.79) HRH3KCNH2MCHR1BRD4
SCHEMBL4941464 0.88 HRH3 (0.67) HRH3KCNH2MCHR1BRD4F10
SCHEMBL3666051 0.86 HRH3 (1.00) HRH3KCNH2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155719-A1 AZACYCLYLBENZAMIDE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS Wyeth LLC (US) 2010-02-24 EP claimed
WO-2008147945-A1 AZACYCLYLBENZAMIDE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2008-12-04 WO claimed
US-20080293771-A1 AZACYCLYLBENZAMIDE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2008-11-27 US claimed
EP-2155719-A1 AZACYCLYLBENZAMIDE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS Wyeth LLC (US) 2010-02-24 EP disclosed
WO-2008147945-A1 AZACYCLYLBENZAMIDE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2008-12-04 WO disclosed
US-20080293771-A1 AZACYCLYLBENZAMIDE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2008-11-27 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-20080293771-A1 AZACYCLYLBENZAMIDE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS HRH4, HRH3, HRH2 HRH3 2/4885KCNH2 581/4885MCHR1 401/4885

“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.