SCHEMBL3725969

SCHEMBL3725969

CC(C)(C)OC(=O)N1CCC(NC(=O)c2ccc(Cn3cnc4ccccc43)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
HRH3 Q9Y5N1 7/20 0.54
HDAC4 P56524 1/20 0.49
MMP7 P09237 3/20 0.49
MMP12 P39900 3/20 0.49
MMP3 P08254 2/20 0.49
MMP10 P09238 2/20 0.49
MMP8 P22894 2/20 0.49
USP30 Q70CQ3 1/20 0.49
KDM4E B2RXH2 1/20 0.47
PKM P14618 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
LMNA P02545 1/20 0.47
THRB P10828 1/20 0.47
POLB P06746 1/20 0.47
TP53 P04637 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
SCHEMBL4943219 0.95 USP30 (0.56) HDAC1HDAC6HRH3HDAC4MMP7
SCHEMBL4943222 0.95 USP30 (0.56) HDAC1HDAC6HRH3HDAC4MMP7
SCHEMBL3725967 0.87 ALDH1A1 (0.55) HDAC1HDAC6HRH3USP30LMNA
SCHEMBL4937160 0.84 HRH3 (0.53) HDAC1HDAC6HRH3MMP7MMP12
SCHEMBL3721860 0.83 HRH3 (0.66) HRH3USP30
SCHEMBL3724633 0.83 MMP7 (0.69) HDAC1HDAC6HRH3HDAC4MMP7
SCHEMBL9302839 0.82 HDAC1 (0.67) HDAC1HDAC6HRH3KDM4EKMT2A
SCHEMBL3721859 0.81 HRH3 (0.59) HDAC1HDAC6HRH3MEN1KMT2A
SCHEMBL2143391 0.81 NPC1 (0.54) HDAC6HDAC4USP30LMNATHRB
Tert-Butyl Formate SCHEMBL27786473 0.81 HDAC1 (0.53) HDAC1HDAC6HRH3MEN1KMT2A

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 5 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
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 HDAC1 482/4885HDAC6 425/4885HRH3 2/4885

“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.