SCHEMBL2029083

SCHEMBL2029083

CC(C)(C)OC(=O)N1CCC(Cn2c(-c3ccc(-c4ccccc4)cc3)nc3cnccc32)C1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.48
USP30 Q70CQ3 6/20 0.45
GPR119 Q8TDV5 2/20 0.44
BTK Q06187 2/20 0.44
HPGDS O60760 1/20 0.43
PTGER4 P35408 1/20 0.42
KDM1A O60341 1/20 0.42
GBA1 P04062 1/20 0.42
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL13834740 1.00 BRD4 (0.48) BRD4USP30GPR119BTKHPGDS
SCHEMBL13834447 0.87 BRD4 (0.62) BRD4BTKPTGER4
SCHEMBL12632192 0.87 BRD4 (0.62) BRD4BTKPTGER4
SCHEMBL12764531 0.87 BRD4 (0.52) BRD4BTKPTGER4
SCHEMBL2030834 0.86 BRD4 (0.47) BRD4BTKPTGER4
SCHEMBL12630671 0.86 BRD4 (0.51) BRD4BTKPTGER4
SCHEMBL13834739 0.86 BRD4 (0.51) BRD4BTKPTGER4
SCHEMBL2035437 0.86 BRD4 (0.50) BRD4
SCHEMBL12632185 0.85 BRD4 (0.49) BRD4BTKPTGER4
SCHEMBL13834963 0.85 BRD4 (0.49) BRD4BTKPTGER4

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-20120295915-A1 AZABENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC 2012-11-22 US disclosed
EP-2503890-A1 AZABENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GlaxoSmithKline LLC (US) 2012-10-03 EP disclosed
WO-2011066211-A1 AZABENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2011-06-03 WO 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-20120295915-A1 AZABENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS FASN, FADS1, COASY BRD4 702/4885USP30 1884/4885GPR119 82/4885

“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.