SCHEMBL3671113

SCHEMBL3671113

Cc1nc2ccccc2n1Cc1ccc(C(=O)N(C)C2CCN(C(C)C)CC2)cc1F

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 15/20 0.68
HDAC3 O15379 1/20 0.58
HDAC4 P56524 1/20 0.58
HDAC1 Q13547 1/20 0.58
HDAC7 Q8WUI4 1/20 0.58
HDAC2 Q92769 1/20 0.58
HDAC10 Q969S8 1/20 0.58
HDAC11 Q96DB2 1/20 0.58
HDAC8 Q9BY41 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
HDAC9 Q9UKV0 1/20 0.58
HDAC5 Q9UQL6 1/20 0.58
PTAFR P25105 2/20 0.57
KCNH2 Q12809 2/20 0.56
AGTR1 P30556 1/20 0.45
AGTR2 P50052 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
SCHEMBL3669064 0.95 HRH3 (0.76) HRH3HDAC3HDAC4HDAC1HDAC7
SCHEMBL3669061 0.95 HRH3 (0.76) HRH3HDAC3HDAC4HDAC1HDAC7
SCHEMBL3725923 0.90 HRH3 (0.70) HRH3HDAC3HDAC4HDAC1HDAC7
SCHEMBL3721841 0.87 HRH3 (0.68) HRH3HDAC3HDAC4HDAC1HDAC7
SCHEMBL3725643 0.86 HRH3 (0.90) HRH3HDAC1HDAC6PTAFRKCNH2
SCHEMBL3666986 0.85 HRH3 (0.79) HRH3PTAFRKCNH2
SCHEMBL3666985 0.85 HRH3 (0.79) HRH3PTAFRKCNH2
SCHEMBL3726346 0.84 HRH3 (0.76) HRH3HDAC3HDAC4HDAC1HDAC7
SCHEMBL3726344 0.84 HRH3 (0.76) HRH3HDAC3HDAC4HDAC1HDAC7
SCHEMBL3732656 0.84 HRH3 (0.64) HRH3PTAFRKCNH2

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 2/4885HDAC3 530/4885HDAC4 652/4885

“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.