SCHEMBL3667392

SCHEMBL3667392

CN(C(=O)c1ccc(Cn2cccn2)cc1)[C@@H]1CCN(C2CCC2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 18/20 1.00
KCNH2 Q12809 3/20 0.71
CYP2D6 P10635 1/20 0.46
MCHR1 Q99705 1/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45

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
SCHEMBL3673063 0.98 HRH3 (1.00) HRH3KCNH2CYP2D6MCHR1
SCHEMBL3668484 0.94 HRH3 (0.89) HRH3KCNH2CYP2D6MCHR1HDAC1
SCHEMBL3736462 0.93 HRH3 (0.86) HRH3KCNH2
SCHEMBL4944433 0.92 HRH3 (0.89) HRH3KCNH2CYP2D6MCHR1HDAC1
SCHEMBL3670948 0.91 HRH3 (0.86) HRH3KCNH2
SCHEMBL3725079 0.83 HRH3 (1.00) HRH3KCNH2CYP2D6MCHR1HDAC1
SCHEMBL3727978 0.83 HRH3 (1.00) HRH3KCNH2
SCHEMBL3735236 0.81 HRH3 (0.89) HRH3KCNH2CYP2D6MCHR1HDAC1
SCHEMBL4944133 0.81 HRH3 (1.00) HRH3KCNH2
SCHEMBL3732818 0.79 HRH3 (0.67) HRH3KCNH2HDAC1HDAC6

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 581/4885CYP2D6 789/4885

“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.