SCHEMBL3736663

SCHEMBL3736663

CN(C(=O)c1ccc(Cn2cccn2)cc1)[C@@H]1CCNC1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.64
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
SLC6A4 P31645 2/20 0.44
MCHR1 Q99705 1/20 0.44
MBTPS1 Q14703 7/20 0.43
KCNH2 Q12809 2/20 0.42
SLC6A2 P23975 1/20 0.42
PTAFR P25105 1/20 0.42
HTT P42858 1/20 0.40
F10 P00742 1/20 0.40
PLAU P00749 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
SCHEMBL3736662 1.00 HRH3 (0.64) HRH3HDAC1HDAC6SLC6A4MCHR1
SCHEMBL3732818 0.94 HRH3 (0.67) HRH3HDAC1HDAC6KCNH2PTAFR
Hydrochloric Acid SCHEMBL3738480 0.93 HRH3 (0.66) HRH3HDAC1HDAC6KCNH2PTAFR
SCHEMBL3665742 0.81 HRH3 (0.62) HRH3SLC6A4MCHR1KCNH2SLC6A2
SCHEMBL3665747 0.81 HRH3 (0.62) HRH3SLC6A4MCHR1KCNH2SLC6A2
SCHEMBL3735236 0.80 HRH3 (0.89) HRH3HDAC1HDAC6MCHR1KCNH2
SCHEMBL3668484 0.79 HRH3 (0.89) HRH3HDAC1HDAC6MCHR1KCNH2
SCHEMBL4944433 0.79 HRH3 (0.89) HRH3HDAC1HDAC6MCHR1KCNH2
SCHEMBL3725079 0.78 HRH3 (1.00) HRH3HDAC1HDAC6MCHR1KCNH2
SCHEMBL3673063 0.78 HRH3 (1.00) HRH3MCHR1KCNH2

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
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
US-20080293771-A1 AZACYCLYLBENZAMIDE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2008-11-27 US 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 2/4885HDAC1 482/4885HDAC6 425/4885

“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.