SCHEMBL4486236

SCHEMBL4486236

O=C(Nc1ccc2c(c1)OCO2)c1ccc(O)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 13/20 0.80
NPC1 O15118 12/20 0.80
MAPT P10636 6/20 0.80
SMN1; SMN2 Q16637 5/20 0.80
PKM P14618 2/20 0.80
ALDH1A1 P00352 1/20 0.80
NFKB1 P19838 1/20 0.80
NFKB2 Q00653 1/20 0.80
RELA Q04206 1/20 0.80
AHR P35869 1/20 0.72
CYP1A2 P05177 1/20 0.69
CYP3A4 P08684 1/20 0.69
CASP3 P42574 5/20 0.64
SENP7 Q9BQF6 5/20 0.64
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
SENP8 Q96LD8 2/20 0.64
SENP6 Q9GZR1 2/20 0.64
LMNA P02545 1/20 0.64
MAOB P27338 1/20 0.64

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
SCHEMBL27179668 0.94 RAB9A (0.90) RAB9ANPC1MAPTSMN1; SMN2PKM
SCHEMBL21780052 0.91 RAB9A (0.76) RAB9ANPC1MAPTSMN1; SMN2PKM
SCHEMBL108116 0.89 NPC1 (1.00) RAB9ANPC1MAPTSMN1; SMN2PKM
SCHEMBL18941082 0.87 RAB9A (0.78) RAB9ANPC1MAPTSMN1; SMN2PKM
SCHEMBL6295679 0.86 NPC1 (1.00) RAB9ANPC1MAPTSMN1; SMN2PKM
SCHEMBL9695899 0.84 RAB9A (0.75) RAB9ANPC1MAPTSMN1; SMN2PKM
SCHEMBL27181112 0.84 RAB9A (0.85) RAB9ANPC1MAPTSMN1; SMN2PKM
SCHEMBL30926503 0.84 RAB9A (0.85) RAB9ANPC1MAPTSMN1; SMN2PKM
SCHEMBL8712551 0.82 MAPT (0.72) RAB9ANPC1MAPTSMN1; SMN2PKM
SCHEMBL13561178 0.80 NPC1 (0.76) RAB9ANPC1MAPTSMN1; SMN2PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101230033-B New azabicycloalkane derivatives, preparing method and medicament combination containing the same SERVIER LAB 2011-03-09 CN disclosed
CN-100577160-C Novel azabicyclo derivatives, preparation method thereof and pharmaceutical compositions containing same SERVIER LAB 2010-01-06 CN disclosed
US-7576120-B2 Azabicyclic compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2009-08-18 US disclosed
CN-101230033-A New azabicycloalkane derivatives, preparing method and medicament combination containing the same SERVIER LAB (FR) 2008-07-30 CN disclosed
EP-1720544-B1 NOVEL AZABICYCLIC DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2008-03-19 EP disclosed
US-20070197625-A1 Azabicyclic compounds, a process for their preparation and pharmaceutical compositions containing them. LES LABORATORATIES SERVIER (FR) 2007-08-23 US disclosed
CN-1921848-A Novel azabicyclo derivatives, preparation method thereof and pharmaceutical compositions containing same SERVIER LAB (FR) 2007-02-28 CN disclosed
EP-1720544-A1 NOVEL AZABICYCLIC DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Les Laboratoires Servier (FR) 2006-11-15 EP disclosed
WO-2005089747-A1 NOVEL AZABICYCLIC DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2005-09-29 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-20070197625-A1 Azabicyclic compounds, a process for their preparation and pharmaceutical compositions containing them. HRH2, HNMT, HRH1 RAB9A 1779/4885NPC1 2317/4885MAPT 4412/4885

“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.