SCHEMBL442554

SCHEMBL442554

O=CNCC1COc2ccccc2O1

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
HPGD P15428 2/20 0.61
CA2 P00918 2/20 0.60
POLB P06746 1/20 0.60
ESR2 Q92731 1/20 0.60
MTNR1A P48039 1/20 0.60
SMN1; SMN2 Q16637 3/20 0.57
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
LMNA P02545 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
ADRA1D P25100 1/20 0.53
ADRA1A P35348 1/20 0.53
ADRA1B P35368 1/20 0.53
TSHR P16473 1/20 0.52
HTT P42858 1/20 0.51

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
Formamide SCHEMBL9695907 0.80 ALDH1A1 (0.60) ALDH1A1HPGDCA2POLBESR2
SCHEMBL11542575 0.80 HTT (0.57) ALDH1A1HPGDCA2POLBESR2
SCHEMBL18358970 0.79 POLB (0.75) ALDH1A1HPGDCA2POLBESR2
SCHEMBL8367125 0.79 POLB (0.75) ALDH1A1HPGDCA2POLBESR2
SCHEMBL11479245 0.78 ALDH1A1 (0.62) ALDH1A1HPGDCA2POLBESR2
SCHEMBL15606965 0.78 POLB (0.65) ALDH1A1HPGDCA2POLBESR2
SCHEMBL9695874 0.78 MTNR1A (0.65) ALDH1A1HPGDCA2POLBESR2
SCHEMBL443012 0.78 POLB (0.65) ALDH1A1HPGDCA2POLBESR2
SCHEMBL12095181 0.77 HRH3 (0.46) ALDH1A1HPGDCA2
SCHEMBL27747401 0.77 CA2 (0.60) ALDH1A1HPGDCA2POLBESR2

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 67 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-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
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
US-8492431-B2 Use of benzo-fused heterocycle sulfamide derivatives for the treatment of obesity JANSSEN PHARMACEUTICA, N.V. (BE) 2013-07-23 US disclosed
CN-101378746-B Use of benzo-fused heterocycle sulfamide derivatives for the treatment of pain JANSSEN PHARMACEUTICA NV 2013-07-17 CN disclosed
EP-2150249-B1 USE OF BENZO-FUSED HETEROCYCLE SULFAMIDE DERIVATIVES FOR THE TREATMENT OF MIGRAINE JANSSEN PHARMACEUTICA NV (BE) 2013-04-24 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-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
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
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 (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 ALDH1A1 267/4885HPGD 424/4885CA2 826/4885
US-20060041008-A1 Novel sulfamate and sulfamide derivatives useful for the treatment of epilepsy and related disorders SULT2A1, STS, GRIK5 ALDH1A1 852/4885HPGD 1806/4885CA2 917/4885
US-20050282887-A1 Novel sulfamate and sulfamide derivatives useful for the treatment of epilepsy and related disorders SULT2A1, STS, GRIK5 ALDH1A1 852/4885HPGD 1806/4885CA2 917/4885

“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.