SCHEMBL3723766

SCHEMBL3723766

CC(C)(C)OC(=O)N1CCC(NC(=O)c2ccc(-n3cc4ccccc4n3)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.54
POLB P06746 1/20 0.49
HDAC6 Q9UBN7 1/20 0.48
GCG P01275 1/20 0.47
KDM4E B2RXH2 2/20 0.47
PKM P14618 1/20 0.47
LMNA P02545 1/20 0.47
THRB P10828 1/20 0.47
PARP1 P09874 1/20 0.47
USP30 Q70CQ3 2/20 0.46
RIPK2 O43353 1/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
GPR119 Q8TDV5 3/20 0.46
DGAT2 Q96PD7 2/20 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
SCHEMBL3730320 0.94 HDAC4 (0.55) HDAC4HDAC6GCGPARP1USP30
SCHEMBL4946424 0.94 HDAC4 (0.55) HDAC4HDAC6GCGPARP1USP30
SCHEMBL3723763 0.87 ALDH1A1 (0.58) ALDH1A1GPR119
SCHEMBL3672775 0.86 GPR119 (0.44) HDAC4POLBGCGKDM4EPKM
SCHEMBL3730318 0.83 ALDH1A1 (0.51) PARP1USP30ALDH1A1GPR119
SCHEMBL3730316 0.83 ALDH1A1 (0.51) PARP1USP30ALDH1A1GPR119
SCHEMBL4944437 0.83 USP30 (0.43) HDAC4HDAC6GCGKDM4EPKM
SCHEMBL3635931 0.83 USP30 (0.43) HDAC4HDAC6GCGKDM4EPKM
SCHEMBL3672777 0.82 USP30 (0.57) USP30KMT2AMEN1GPR119
SCHEMBL3638282 0.81 GPR119 (0.69) HDAC4POLBHDAC6KDM4EPKM

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 HDAC4 652/4885POLB 3600/4885HDAC6 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.