SCHEMBL3665673

SCHEMBL3665673

CC(C)N1CC[C@@H](N(C)C(=O)c2ccc(Cn3cnc4c(F)cccc43)cc2)C1

nearest known ligand 0.75

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.75
KCNH2 Q12809 1/20 0.51
NR1H4 Q96RI1 2/20 0.40
PTAFR P25105 1/20 0.40
CCR5 P51681 1/20 0.39
CCR3 P51677 1/20 0.39
CYP2D6 P10635 1/20 0.38
MCHR1 Q99705 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
SCHEMBL3665676 1.00 HRH3 (0.75) HRH3KCNH2NR1H4PTAFRCCR5
SCHEMBL3729154 0.95 HRH3 (0.67) HRH3KCNH2NR1H4PTAFRCCR5
SCHEMBL3721564 0.89 HRH3 (0.61) HRH3KCNH2PTAFR
SCHEMBL3666051 0.86 HRH3 (1.00) HRH3KCNH2PTAFR
SCHEMBL3726180 0.85 HRH3 (0.75) HRH3KCNH2PTAFR
SCHEMBL3726183 0.85 HRH3 (0.75) HRH3KCNH2PTAFR
SCHEMBL3721641 0.85 HRH3 (0.75) HRH3KCNH2PTAFR
SCHEMBL3721638 0.85 HRH3 (0.75) HRH3KCNH2PTAFR
SCHEMBL3665850 0.83 HRH3 (0.79) HRH3KCNH2CCR5CCR3MCHR1
SCHEMBL3669015 0.83 HRH3 (0.79) HRH3KCNH2CCR5CCR3MCHR1

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 581/4885NR1H4 174/4885

“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.