SCHEMBL2920549

SCHEMBL2920549

O=C(NC1CCCC1)c1ccc(O)cc1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.69
RAB9A P51151 6/20 0.69
SMN1; SMN2 Q16637 3/20 0.69
HPGD P15428 2/20 0.69
CYP1A2 P05177 1/20 0.69
CYP2C19 P33261 1/20 0.69
KMT2A Q03164 5/20 0.61
MAOA P21397 1/20 0.59
MAOB P27338 1/20 0.59
LMNA P02545 1/20 0.58
EPHX1 P07099 1/20 0.57
ALDH1A1 P00352 3/20 0.56
MAPK1 P28482 1/20 0.56
MEN1 O00255 1/20 0.56
ESR1 P03372 1/20 0.55
ESRRG P62508 1/20 0.55
ESR2 Q92731 1/20 0.55
PTPN1 P18031 1/20 0.55
PTPN11 Q06124 1/20 0.55

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
SCHEMBL2916169 0.98 NPC1 (0.72) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL1477302 0.92 RAB9A (0.65) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL123652 0.92 NPC1 (0.79) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL28928584 0.90 NPC1 (0.82) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL520877 0.90 NPC1 (0.82) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL126657 0.90 NPC1 (0.82) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL15768885 0.87 RAB9A (0.74) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL517452 0.86 NPC1 (0.73) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL518043 0.85 NPC1 (0.74) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL16584075 0.85 NPC1 (0.69) NPC1RAB9ASMN1; SMN2HPGDCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2222160-B1 HALOALLYLAMINE INHIBITORS OF SSAO/VAP-1 AND USES THEREFOR PHARMAXIS LTD (AU) 2015-03-18 EP disclosed
US-8426587-B2 Haloallylamine inhibitors of SSAO/VAP-1 and uses therefor PHARMAXIS LTD. (AU) 2013-04-23 US disclosed
CN-101230033-B New azabicycloalkane derivatives, preparing method and medicament combination containing the same SERVIER LAB 2011-03-09 CN disclosed
CN-101917845-A Haloallylamine inhibitors of SSAO/VAP-1 and uses therefor PHARMAXIS LTD 2010-12-15 CN disclosed
US-20100298330-A1 HALOALLYLAMINE INHIBITORS OF SSAO/VAP-1 AND USES THEREFOR PHARMAXIS LTD. (AU) 2010-11-25 US disclosed
EP-2222160-A2 HALOALLYLAMINE INHIBITORS OF SSAO/VAP-1 AND USES THEREFOR Pharmaxis Ltd. (AU) 2010-09-01 EP 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
WO-2009066152-A2 HALOALLYLAMINE INHIBITORS OF SSAO/VAP-1 AND USES THEREFOR PHARMAXIS LTD. (US) 2009-05-28 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20100298330-A1 HALOALLYLAMINE INHIBITORS OF SSAO/VAP-1 AND USES THEREFOR VAPA, SLC6A11, VAPB NPC1 303/4885RAB9A 3543/4885SMN1; SMN2 1608/4885
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.