SCHEMBL3724633

SCHEMBL3724633

Cc1nc2ccccc2n1Cc1ccc(C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP7 P09237 3/20 0.69
MMP12 P39900 3/20 0.69
MMP3 P08254 2/20 0.69
MMP10 P09238 2/20 0.69
MMP8 P22894 2/20 0.69
HDAC1 Q13547 3/20 0.57
HDAC6 Q9UBN7 3/20 0.57
HRH3 Q9Y5N1 6/20 0.54
HDAC4 P56524 1/20 0.51
PTAFR P25105 1/20 0.50
BRD4 O60885 2/20 0.49
LMNA P02545 1/20 0.48
THRB P10828 1/20 0.48
TP53 P04637 1/20 0.48
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.46

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
SCHEMBL4937089 0.95 MMP7 (0.69) MMP7MMP12MMP3MMP10MMP8
SCHEMBL4937077 0.95 MMP7 (0.69) MMP7MMP12MMP3MMP10MMP8
SCHEMBL3724630 0.88 MMP7 (0.57) MMP7MMP12MMP3MMP10MMP8
SCHEMBL3728687 0.85 HRH3 (0.64) MMP7MMP12MMP3MMP10MMP8
SCHEMBL4937732 0.83 PTAFR (0.71) MMP7MMP12MMP3MMP10MMP8
SCHEMBL3725969 0.83 HDAC1 (0.55) MMP7MMP12MMP3MMP10MMP8
SCHEMBL3809256 0.81 HRH3 (0.60) MMP7MMP12MMP3MMP10MMP8
SCHEMBL7756336 0.81 HDAC4 (0.51) MMP7MMP12MMP3MMP10MMP8
SCHEMBL3666262 0.80 HRH3 (0.69) MMP7MMP12MMP3MMP10MMP8
SCHEMBL3666267 0.80 HRH3 (0.69) MMP7MMP12MMP3MMP10MMP8

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 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 MMP7 3853/4885MMP12 2971/4885MMP3 3511/4885

“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.