SCHEMBL3726544

SCHEMBL3726544

Cc1nc2ccccc2n1-c1ccc(C(=O)N(C)[C@H]2CCN(CC3CC3)C2)cc1

nearest known ligand 0.83

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 19/20 0.83
KCNH2 Q12809 3/20 0.71
PTAFR P25105 1/20 0.50

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
SCHEMBL3728551 1.00 HRH3 (0.83) HRH3KCNH2PTAFR
SCHEMBL3722153 0.96 HRH3 (0.80) HRH3KCNH2PTAFR
SCHEMBL3726390 0.95 HRH3 (0.79) HRH3KCNH2PTAFR
SCHEMBL3804701 0.91 HRH3 (1.00) HRH3KCNH2PTAFR
SCHEMBL3731178 0.91 HRH3 (0.82) HRH3KCNH2PTAFR
SCHEMBL3732887 0.89 HRH3 (1.00) HRH3KCNH2PTAFR
SCHEMBL7760919 0.88 HRH3 (0.81) HRH3KCNH2PTAFR
SCHEMBL4945034 0.88 HRH3 (0.81) HRH3KCNH2PTAFR
SCHEMBL3672339 0.88 HRH3 (1.00) HRH3KCNH2PTAFR
Hydrochloric Acid SCHEMBL3814118 0.87 HRH3 (0.80) HRH3KCNH2PTAFR

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
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
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 581/4885PTAFR 841/4885

“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.