SCHEMBL438882

SCHEMBL438882

NC[C@H]1COc2cc(Cl)ccc2O1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.62
CA1 P00915 1/20 0.62
FFAR1 O14842 6/20 0.42
NPC1 O15118 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTR1A P08908 2/20 0.39
ADRA1A P35348 2/20 0.39
DRD3 P35462 2/20 0.39
SLC6A2 P23975 2/20 0.39
ADRA2A P08913 1/20 0.39
DRD1 P21728 1/20 0.39
TBXA2R P21731 1/20 0.39
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
ADRA1D P25100 1/20 0.38
HTR2C P28335 1/20 0.38
ADRA1B P35368 1/20 0.38
MAOB P27338 1/20 0.38

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
SCHEMBL1117818 1.00 CA2 (0.62) CA2CA1FFAR1NPC1TSHR
SCHEMBL440872 0.93 CA2 (0.62) CA2CA1FFAR1NPC1TSHR
SCHEMBL4764921 0.93 CA2 (0.62) CA2CA1FFAR1NPC1TSHR
SCHEMBL9117176 0.85 CA2 (0.59) CA2CA1FFAR1NPC1TSHR
SCHEMBL1119174 0.83 CA2 (0.58) CA2CA1FFAR1NPC1TSHR
SCHEMBL1119175 0.83 CA2 (0.58) CA2CA1FFAR1NPC1TSHR
SCHEMBL13657793 0.83 CA2 (0.58) CA2CA1FFAR1NPC1TSHR
SCHEMBL13651858 0.83 CA2 (0.58) CA2CA1FFAR1NPC1TSHR
SCHEMBL441033 0.81 CA2 (0.59) CA2CA1FFAR1HTR1AADRA1A
SCHEMBL6761878 0.81 CA2 (0.59) CA2CA1FFAR1HTR1AADRA1A

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 89 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1768970-B1 SULFAMATE AND SULFAMIDE DERIVATIVES FOR THE TREATMENT OF EPILEPSY AND RELATED DISORDERS JANSSEN PHARMACEUTICA NV (BE) 2016-03-09 EP disclosed
US-8937096-B2 Use of benzo-fused heterocyle sulfamide derivatives for the treatment of mania and bipolar disorder JANSSEN PHARMACEUTICA NV (BE) 2015-01-20 US disclosed
US-8895762-B2 Process for the preparation of sulfamide derivatives JANSSEN PHARMACEUTICA NV (BE) 2014-11-25 US disclosed
US-8895762-B2 Process for the preparation of sulfamide derivatives JANSSEN PHARMACEUTICA NV (BE) 2014-11-25 US disclosed
US-8895762-B2 Process for the preparation of sulfamide derivatives JANSSEN PHARMACEUTICA NV (BE) 2014-11-25 US disclosed
US-8853263-B2 Co-therapy for the treatment of epilepsy and related disorders JANSSEN PHARMACEUTICA NV (BE) 2014-10-07 US disclosed
US-8809554-B2 Process for the preparation of sulfamide derivatives JANSSEN PHARMACEUTICA NV (BE) 2014-08-19 US disclosed
US-8809554-B2 Process for the preparation of sulfamide derivatives JANSSEN PHARMACEUTICA NV (BE) 2014-08-19 US disclosed
EP-1968572-B1 USE OF BENZO-FUSED HETEROCYCLE SULFAMIDE DERIVATIVES FOR THE TREATMENT OF SUBSTANCE ABUSE AND ADDICTION JANSSEN PHARMACEUTICA NV (BE) 2014-08-06 EP disclosed
EP-2760852-A1 IMPROVED PROCESS FOR THE PREPARATION OF SULFAMIDE DERIVATIVES Janssen Pharmaceutica, N.V. (BE) 2014-08-06 EP disclosed
WO-2007075752-A1 USE OF BENZO-FUSED HETEROCYCLE SULFAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-05 WO disclosed
WO-2007075833-A2 USE OF BENZO-FUSED HETEROCYCLE SULFAMIDE DERIVATIVES FOR THE TREATMENT OF OBESITY JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-05 WO disclosed
WO-2007075751-A1 USE OF BENZO-FUSED HETEROCYCLE SULFAMIDE DERIVATIVES FOR THE TREATMENT OF DEPRESSION JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-05 WO disclosed
WO-2007075834-A2 USE OF BENZO-FUSED HETEROCYCLE SULFAMIDE DERIVATIVES FOR THE TREATMENT OF EPILEPSY JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-05 WO disclosed
US-20070155824-A1 USE OF BENZO-FUSED HETEROCYCLE SULFAMIDE DERIVATIVES FOR DISEASE MODIFICATION / EPILEPTOGENESIS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-07-05 US disclosed
EP-1768970-A1 SULFAMATE AND SULFAMIDE DERIVATIVES FOR THE TREATMENT OF EPILEPSY AND RELATED DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-04 EP disclosed
US-20060041008-A1 Novel sulfamate and sulfamide derivatives useful for the treatment of epilepsy and related disorders JANSSEN PHARMACEUTICA N.V. (BE) 2006-02-23 US disclosed
WO-2006007435-A1 SULFAMATE AND SULFAMIDE DERIVATIVES FOR THE TREATMENT OF EPILEPSY AND RELATED DISORDERS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-01-19 WO disclosed
WO-2006007436-A1 SULFAMATE AND SULFAMIDE DERIVATIVES FOR THE TREATMENT OF EPILEPSY AND RELATED DISORDERS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-01-19 WO disclosed
US-20050282887-A1 Novel sulfamate and sulfamide derivatives useful for the treatment of epilepsy and related disorders JANSSEN PHARMACEUTICA NV (BE) 2005-12-22 US 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 (3 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-20070155824-A1 USE OF BENZO-FUSED HETEROCYCLE SULFAMIDE DERIVATIVES FOR DISEASE MODIFICATION / EPILEPTOGENESIS STS, GABRB2, SULT2A1 CA2 826/4885CA1 137/4885FFAR1 1511/4885
US-20060041008-A1 Novel sulfamate and sulfamide derivatives useful for the treatment of epilepsy and related disorders SULT2A1, STS, GRIK5 CA2 917/4885CA1 421/4885FFAR1 781/4885
US-20050282887-A1 Novel sulfamate and sulfamide derivatives useful for the treatment of epilepsy and related disorders SULT2A1, STS, GRIK5 CA2 917/4885CA1 421/4885FFAR1 781/4885

“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.