SCHEMBL4942925

SCHEMBL4942925

CC(C)(C)OC(=O)N1CCC(NC(=O)c2ccc(Cn3cccn3)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
HDAC1 Q13547 1/20 0.52
LMNA P02545 2/20 0.49
THRB P10828 1/20 0.49
GPR119 Q8TDV5 1/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.48
PKM P14618 1/20 0.48
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.47
TP53 P04637 3/20 0.47
MAPT P10636 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
USP30 Q70CQ3 2/20 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
SCHEMBL4943304 0.94 HDAC6 (0.54) HDAC4HDAC6HDAC1GPR119USP30
SCHEMBL3674391 0.94 HDAC6 (0.54) HDAC4HDAC6HDAC1GPR119USP30
SCHEMBL4946817 0.89 USP30 (0.57) HDAC4HDAC6HDAC1USP30
SCHEMBL3638282 0.83 GPR119 (0.69) HDAC4HDAC6LMNATHRBGPR119
SCHEMBL3670907 0.83 HDAC1 (0.50) HDAC6HDAC1LMNAGPR119KMT2A
SCHEMBL3725305 0.83 ALDH1A1 (0.52) GPR119MAPTUSP30
SCHEMBL3725304 0.83 ALDH1A1 (0.52) GPR119MAPTUSP30
SCHEMBL4943963 0.82 HRH3 (0.64) GPR119USP30
SCHEMBL7756336 0.80 HDAC4 (0.51) HDAC4HDAC6HDAC1LMNATHRB
Tert-Butyl Formate SCHEMBL27808517 0.79 HDAC6 (0.50) HDAC4HDAC6HDAC1LMNAKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 652/4885HDAC6 425/4885HDAC1 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.