SCHEMBL4494871

SCHEMBL4494871

Oc1ccc(Nc2ccc3ccccc3n2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.58
ALDH1A1 P00352 3/20 0.58
GAA P10253 3/20 0.58
MEN1 O00255 3/20 0.58
MAPT P10636 3/20 0.58
LMNA P02545 2/20 0.58
POLB P06746 1/20 0.58
HTT P42858 1/20 0.58
RECQL P46063 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
NCF1 P14598 1/20 0.53
AR P10275 1/20 0.51
DHFR P00374 2/20 0.49
AURKA O14965 1/20 0.49
RHOA P61586 1/20 0.48
NPC1 O15118 4/20 0.48
RAB9A P51151 3/20 0.46
KDM4E B2RXH2 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NFKB1 P19838 1/20 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
SCHEMBL396525 0.85 NCF1 (0.61) KMT2AALDH1A1GAAMEN1MAPT
SCHEMBL29833517 0.85 NCF1 (0.61) KMT2AALDH1A1GAAMEN1MAPT
SCHEMBL12431347 0.82 NCF1 (0.58) KMT2AALDH1A1GAAMEN1MAPT
SCHEMBL29110577 0.82 NPC1 (0.58) KMT2AALDH1A1GAAMEN1MAPT
SCHEMBL4812645 0.82 NCF1 (0.53) KMT2AALDH1A1GAAMEN1MAPT
SCHEMBL30760998 0.80 NCF1 (0.71) KMT2AALDH1A1GAAHTTNCF1
SCHEMBL10458402 0.80 NCF1 (0.71) KMT2AALDH1A1GAAHTTNCF1
SCHEMBL1703350 0.80 NCF1 (0.55) KMT2AALDH1A1GAAMEN1MAPT
SCHEMBL10838457 0.79 ROCK1 (0.55) KMT2AMAPTNCF1AURKARHOA
SCHEMBL8564697 0.79 NCF1 (0.53) KMT2AALDH1A1GAAMEN1MAPT

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 KMT2A 705/4885ALDH1A1 308/4885GAA 738/4885

“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.