SCHEMBL441013

SCHEMBL441013

NCC1COc2ccccc2OC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.53
NISCH Q9Y2I1 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
ITGB2 P05107 1/20 0.44
ICAM1 P05362 1/20 0.44
ITGAL P20701 1/20 0.44
SLC6A2 P23975 3/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
DRD1 P21728 1/20 0.43
TBXA2R P21731 1/20 0.43
ADRA1A P35348 1/20 0.43
DRD3 P35462 1/20 0.43
ALOX5 P09917 1/20 0.40
CYP2D6 P10635 2/20 0.40
SLC6A4 P31645 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL716596 0.82 SIGMAR1 (0.52) CA2NISCHHTR1A
Hydrochloric Acid SCHEMBL9692517 0.81 SIGMAR1 (0.51) CA2NISCHHTR1A
Hydrochloric Acid SCHEMBL31621993 0.81 SIGMAR1 (0.51) CA2NISCHHTR1A
SCHEMBL12056267 0.77 CA2 (0.49) CA2NISCHABCG2ITGB2ICAM1
SCHEMBL12056268 0.77 CA2 (0.49) CA2NISCHABCG2ITGB2ICAM1
SCHEMBL13656654 0.77 CA2 (0.49) CA2NISCHABCG2ITGB2ICAM1
SCHEMBL29841237 0.77 ADRA2A (0.60) CA2SLC6A2HTR1AADRA2ADRD1
SCHEMBL439092 0.77 ADRA2A (0.60) CA2SLC6A2HTR1AADRA2ADRD1
SCHEMBL31407451 0.77 ADRA2A (0.60) CA2SLC6A2HTR1AADRA2ADRD1
SCHEMBL8186813 0.77 ADRA2A (0.60) CA2SLC6A2HTR1AADRA2ADRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100256120-A1 AMIDE DERIVATIVES ASTRAZENECA AB 2010-10-07 US claimed
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
EP-2170059-B1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK SHARP & DOHME (US) 2014-11-19 EP disclosed
US-8853263-B2 Co-therapy for the treatment of epilepsy and related disorders JANSSEN PHARMACEUTICA NV (BE) 2014-10-07 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-2276481-B1 USE OF BENZO-FUSED HETEROCYCLE SULFAMIDE DERIVATIVES FOR THE TREATMENT OF ANXIETY JANSSEN PHARMACEUTICA NV (BE) 2014-07-30 EP disclosed
US-8716231-B2 Use of benzo-fused heterocycle sulfamide derivatives for the treatment of pain JANSSEN PHARMACEUTICA NV (BE) 2014-05-06 US disclosed
CN-101374513-B Use of benzo-fused heterocycle sulfamide derivatives for the preparation of a medicament for the treatment of epilepsy JANSSEN PHARMACEUTICA NV 2013-11-27 CN disclosed
US-8497298-B2 Use of benzo-fused heterocycle sulfamide derivatives for lowering lipids and lowering blood glucose levels JANSSEN PHARMACEUTICA NV (BE) 2013-07-30 US 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-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-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-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-2006007436-A1 SULFAMATE AND SULFAMIDE DERIVATIVES FOR THE TREATMENT OF EPILEPSY AND RELATED DISORDERS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-01-19 WO 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
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 (4 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 826/4885NISCH 1811/4885ABCG2 4030/4885
US-20060041008-A1 Novel sulfamate and sulfamide derivatives useful for the treatment of epilepsy and related disorders SULT2A1, STS, GRIK5 CA2 917/4885NISCH 817/4885ABCG2 1827/4885
US-20050282887-A1 Novel sulfamate and sulfamide derivatives useful for the treatment of epilepsy and related disorders SULT2A1, STS, GRIK5 CA2 917/4885NISCH 817/4885ABCG2 1827/4885
US-20100256120-A1 AMIDE DERIVATIVES IL1B, IL1A, IL6 CA2 1396/4885NISCH 3266/4885ABCG2 2666/4885

“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.