SCHEMBL4495476

SCHEMBL4495476

O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(O)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 2/20 0.80
MAPK14 Q16539 1/20 0.71
MEN1 O00255 3/20 0.70
KMT2A Q03164 3/20 0.70
PLA2G1B P04054 1/20 0.70
CYP1A2 P05177 1/20 0.70
CYP3A4 P08684 1/20 0.70
GAA P10253 1/20 0.70
CYP2D6 P10635 1/20 0.70
CYP2C19 P33261 1/20 0.70
TDP1 Q9NUW8 1/20 0.70
ATG4B Q9Y4P1 1/20 0.70
LMNA P02545 2/20 0.58
HPGD P15428 1/20 0.58
MAPT P10636 2/20 0.58
RAB9A P51151 1/20 0.58
HTT P42858 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
TRPV1 Q8NER1 1/20 0.56
ROCK2 O75116 1/20 0.54

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
SCHEMBL5227678 0.93 MLYCD (0.86) MLYCDMAPK14MEN1KMT2APLA2G1B
SCHEMBL5261051 0.89 MLYCD (0.80) MLYCDMAPK14MEN1KMT2APLA2G1B
SCHEMBL13445241 0.88 MLYCD (0.78) MLYCDMAPK14MEN1KMT2APLA2G1B
SCHEMBL26625298 0.88 MLYCD (0.70) MLYCDMAPK14MEN1KMT2APLA2G1B
SCHEMBL23447721 0.87 MLYCD (0.77) MLYCDMAPK14MEN1KMT2APLA2G1B
SCHEMBL15682679 0.86 MLYCD (0.72) MLYCDMAPK14MEN1KMT2APLA2G1B
SCHEMBL26625302 0.86 MLYCD (0.76) MLYCDMAPK14MEN1KMT2APLA2G1B
SCHEMBL3422647 0.85 ROCK2 (0.62) MLYCDTDP1LMNAHPGDRAB9A
SCHEMBL14797059 0.85 MLYCD (0.74) MLYCDMAPK14MEN1KMT2APLA2G1B
SCHEMBL1568282 0.85 MLYCD (0.74) MLYCDMAPK14MEN1KMT2APLA2G1B

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 MLYCD 3761/4885MAPK14 4091/4885MEN1 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.