SCHEMBL4497329

SCHEMBL4497329

Oc1ccc(Nc2nccc3ccccc23)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 4/20 0.58
GAA P10253 7/20 0.56
MEN1 O00255 6/20 0.54
KMT2A Q03164 6/20 0.54
POLB P06746 3/20 0.54
MAPT P10636 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
HTT P42858 1/20 0.54
RECQL P46063 1/20 0.54
FDPS P14324 1/20 0.48
NTRK1 P04629 1/20 0.47
ALK Q9UM73 1/20 0.47
AURKA O14965 1/20 0.46
TTBK1 Q5TCY1 1/20 0.45
TTBK2 Q6IQ55 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
GBA1 P04062 1/20 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
SCHEMBL1921849 0.86 ABCG2 (0.53) ABCG2MEN1KMT2APOLBMAPT
SCHEMBL3759489 0.85 F12 (0.52) MAPTALDH1A1HTTFDPSAURKA
SCHEMBL20852287 0.83 EGFR (0.60) ABCG2MEN1KMT2AMAPTALDH1A1
SCHEMBL31098966 0.83 TNF (0.57) ABCG2GAAMEN1KMT2APOLB
SCHEMBL20356687 0.83 NPC1 (0.56) ABCG2MEN1KMT2APOLBMAPT
SCHEMBL31098979 0.83 TNF (0.57) ABCG2NPSR1ALDH1A1FDPSEGFR
SCHEMBL25168740 0.83 ADRA2A (0.51) ABCG2MEN1KMT2APOLBMAPT
SCHEMBL10000199 0.82 KDR (0.56) HTTFDPSTTBK1TTBK2NPC1
SCHEMBL34467229 0.82 EGFR (0.56) MAPTALDH1A1LMNAFDPSNPC1
SCHEMBL6175758 0.82 EGFR (0.56) MAPTALDH1A1LMNAFDPSNPC1

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 ABCG2 322/4885GAA 738/4885MEN1 998/4885

“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.