SCHEMBL4500939

SCHEMBL4500939

O=C(NCCOc1ccccc1)c1ccc(O)cc1

nearest known ligand 0.82

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.82
RAB9A P51151 7/20 0.82
SMN1; SMN2 Q16637 4/20 0.82
HPGD P15428 1/20 0.82
POLB P06746 2/20 0.72
CASP3 P42574 1/20 0.72
SENP7 Q9BQF6 1/20 0.72
KMT2A Q03164 3/20 0.65
MEN1 O00255 2/20 0.65
RECQL P46063 1/20 0.63
TP53 P04637 1/20 0.60
MTNR1A P48039 1/20 0.59
MTNR1B P49286 1/20 0.59
LMNA P02545 1/20 0.59
MAPT P10636 1/20 0.59
HTT P42858 1/20 0.59
BRD4 O60885 1/20 0.59
F10 P00742 1/20 0.59
NAMPT P43490 1/20 0.58

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
SCHEMBL11424416 0.94 NPC1 (0.93) NPC1RAB9ASMN1; SMN2HPGDPOLB
SCHEMBL1578277 0.90 NPC1 (1.00) NPC1RAB9ASMN1; SMN2HPGDPOLB
SCHEMBL11433155 0.87 NPC1 (0.93) NPC1RAB9ASMN1; SMN2HPGDPOLB
SCHEMBL9201667 0.85 RAB9A (0.65) NPC1RAB9ASMN1; SMN2HPGDPOLB
SCHEMBL10495055 0.84 NPC1 (0.82) NPC1RAB9ASMN1; SMN2HPGDPOLB
SCHEMBL7566194 0.84 NPC1 (0.75) NPC1RAB9ASMN1; SMN2HPGDPOLB
SCHEMBL443363 0.83 NPC1 (0.79) NPC1RAB9ASMN1; SMN2HPGDPOLB
SCHEMBL8268336 0.82 NPC1 (0.77) NPC1RAB9ASMN1; SMN2HPGDPOLB
SCHEMBL12651249 0.81 NPC1 (0.59) NPC1RAB9ASMN1; SMN2HPGDPOLB
SCHEMBL448229 0.81 NPC1 (0.75) NPC1RAB9ASMN1; SMN2HPGDPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7576120-B2 Azabicyclic compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2009-08-18 US 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
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 NPC1 2317/4885RAB9A 1779/4885SMN1; SMN2 855/4885

“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.