SCHEMBL3726475

SCHEMBL3726475

Cc1nc2ccccc2n1Cc1ccc(C(=O)N(C)C2CCNCC2)cc1

nearest known ligand 0.81

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 2/20 0.81
HRH3 Q9Y5N1 13/20 0.69
HDAC1 Q13547 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
GALR3 O60755 2/20 0.50
NR2F2 P24468 2/20 0.50
TNF P01375 1/20 0.50
RAB9A P51151 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
SCHEMBL3731172 0.94 PTAFR (0.75) PTAFRHRH3HDAC1HDAC6GALR3
SCHEMBL4937155 0.94 PTAFR (0.75) PTAFRHRH3HDAC1HDAC6GALR3
Hydrochloric Acid SCHEMBL4942878 0.93 PTAFR (0.74) PTAFRHRH3HDAC1HDAC6GALR3
Hydrochloric Acid SCHEMBL4942870 0.93 PTAFR (0.74) PTAFRHRH3HDAC1HDAC6GALR3
SCHEMBL9301610 0.90 PTAFR (1.00) PTAFRHRH3HDAC1HDAC6GALR3
SCHEMBL4937590 0.89 PTAFR (0.79) PTAFRHRH3HDAC1HDAC6
SCHEMBL4937585 0.89 PTAFR (0.79) PTAFRHRH3HDAC1HDAC6
SCHEMBL3725643 0.85 HRH3 (0.90) PTAFRHRH3HDAC1HDAC6
SCHEMBL3724608 0.85 HRH3 (0.90) PTAFRHRH3
SCHEMBL4945297 0.85 HRH3 (0.90) PTAFRHRH3

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 8 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
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

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 PTAFR 841/4885HRH3 2/4885HDAC1 482/4885

“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.