SCHEMBL406194

SCHEMBL406194

CC(C)(C)C1Oc2cc3ccccc3cc2O1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
CASP6 P55212 1/20 0.47
CYP2A6 P11509 4/20 0.34
CYP1A2 P05177 3/20 0.34
TDP1 Q9NUW8 1/20 0.33
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31
NISCH Q9Y2I1 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
NQO1 P15559 1/20 0.30
PDPK1 O15530 1/20 0.30
NQO2 P16083 1/20 0.30
HSP90AA1 P07900 1/20 0.30

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
SCHEMBL406201 0.81 LTA4H (0.36) NISCH
SCHEMBL8342640 0.75 POLB (0.52) POLBCASP6CYP2A6CYP1A2TDP1
SCHEMBL406079 0.74 POLB (0.47) POLBCASP6CYP1A2TDP1MAPT
SCHEMBL8339815 0.70 POLB (0.47) POLBCASP6CYP2A6CYP1A2TDP1
SCHEMBL9329781 0.70 POLB (0.52) POLBCASP6CYP2A6CYP1A2GRIN2D
SCHEMBL406459 0.69 POLB (0.43) POLBCASP6CYP1A2TDP1MAPT
SCHEMBL22525594 0.68 POLB (0.50) POLBCASP6CYP2A6CYP1A2TDP1
SCHEMBL21346940 0.65 POLB (0.50) POLBCASP6CYP1A2TDP1MAPT
SCHEMBL2746875 0.65 CYP2A6 (0.34) POLBCASP6CYP2A6CYP1A2TDP1
SCHEMBL903605 0.65 AHR (0.46) POLBCASP6CYP2A6CYP1A2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-8691867-B2 Use of benzo-fused heterocycle sulfamide derivatives for the treatment of substance abuse and addiction JANSSEN PHARMACEUTICA NV (BE) 2014-04-08 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
US-20120065257-A1 USE OF BENZO-FUSED HETEROCYLE SULFAMIDE DERIVATIVES FOR THE TREATMENT OF MIGRAINE SMITH-SWINTOSKY VIRGINIA L (US) 2012-03-15 US disclosed
US-8084490-B2 Sulfamate and sulfamide derivatives useful for the treatment of epilepsy and related disorders JANSSEN PHARMACEUTICA N.V. (BE) 2011-12-27 US disclosed
US-20090247616-A1 USE OF BENZO-FUSED HETEROCYLE SULFAMIDE DERIVATIVES FOR THE TREATMENT OF ANXIETY JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-01 US disclosed
US-20090247617-A1 PROCESS FOR THE PREPARATION OF BENZO-FUSED HETEROARYL SULFAMATES JANSSEN PHARMACEUTICA, N.V. (BE) 2009-10-01 US disclosed
US-20080027131-A1 USE OF BENZO-FUSED HETEROCYCLE SULFAMIDE DERIVATIVES FOR THE TREATMENT OF OBESITY JANSSEN PHARMACEUTICA, N.V. (BE) 2008-01-31 US disclosed
US-20070293440-A1 O-fused heterocycle sulfonylurea compounds with another anticonvulsant or antiepileptic agent such as carbamazepine JANSSEN PHARMACEUTICA NV (BE) 2007-12-20 US disclosed
US-20070191474-A1 USE OF BENZO-FUSED HETEROCYLE SULFAMIDE DERIVATIVES FOR THE TREATMENT OF MIGRAINE JANSSEN PHARMACEUTICA NV (BE) 2007-08-16 US 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
US-20070155827-A1 USE OF BENZO-FUSED HETEROCYCLE SULFAMIDE DERIVATIVES FOR THE TREATMENT OF DEPRESSION JANSSEN PHARMACEUTICA, N.V. (BE) 2007-07-05 US disclosed
US-20070155821-A1 USE OF BENZO-FUSED HETEROCYCLE SULFAMIDE DERIVATIVES FOR LOWERING LIPIDS AND LOWERING BLOOD GLUCOSE LEVELS JANSSEN PHARMACEUTICA NV (BE) 2007-07-05 US disclosed
US-20070155826-A1 USE OF BENZO-FUSED HETEROCYLE SULFAMIDE DERIVATIVES FOR THE TREATMENT OF MANIA AND BIPOLAR DISORDER JANSSEN PHARMACEUTICA, N.V. (BE) 2007-07-05 US disclosed
US-20070155823-A1 USE OF BENZO-FUSED HETEROCYCLE SULFAMIDE DERIVATIVES AS NEUROPROTECTIVE AGENTS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-07-05 US disclosed
US-20070155822-A1 USE OF BENZO-FUSED HETEROCYCLE SULFAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN JANSSEN PHARMACEUTICA, N.V. (BE) 2007-07-05 US disclosed
US-20070155825-A1 USE OF BENZO-FUSED HETEROCYCLE SULFAMIDE DERIVATIVES FOR THE TREATMENT OF SUBSTANCE ABUSE AND ADDICTION JANSSEN PHARMACEUTICA, N.V. (BE) 2007-07-05 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 (13 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-20070155822-A1 USE OF BENZO-FUSED HETEROCYCLE SULFAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN SULT2A1, OPRL1, NPSR1 POLB 4523/4885CASP6 3727/4885CYP2A6 840/4885
US-20070155823-A1 USE OF BENZO-FUSED HETEROCYCLE SULFAMIDE DERIVATIVES AS NEUROPROTECTIVE AGENTS SMN1; SMN2, BDNF, SIRT1 POLB 4492/4885CASP6 281/4885CYP2A6 3660/4885
US-20070155824-A1 USE OF BENZO-FUSED HETEROCYCLE SULFAMIDE DERIVATIVES FOR DISEASE MODIFICATION / EPILEPTOGENESIS STS, GABRB2, SULT2A1 POLB 3558/4885CASP6 977/4885CYP2A6 449/4885
US-20070155827-A1 USE OF BENZO-FUSED HETEROCYCLE SULFAMIDE DERIVATIVES FOR THE TREATMENT OF DEPRESSION SDHA, SQOR, SDHB POLB 3070/4885CASP6 4243/4885CYP2A6 800/4885
US-20080027131-A1 USE OF BENZO-FUSED HETEROCYCLE SULFAMIDE DERIVATIVES FOR THE TREATMENT OF OBESITY GPR119, GLP1R, GIPR POLB 4489/4885CASP6 3064/4885CYP2A6 981/4885
US-20090247616-A1 USE OF BENZO-FUSED HETEROCYLE SULFAMIDE DERIVATIVES FOR THE TREATMENT OF ANXIETY GABBR1, GABBR2, XDH POLB 3535/4885CASP6 4448/4885CYP2A6 776/4885
US-20070191474-A1 USE OF BENZO-FUSED HETEROCYLE SULFAMIDE DERIVATIVES FOR THE TREATMENT OF MIGRAINE CNR2, FAAH2, CCKBR POLB 4390/4885CASP6 3872/4885CYP2A6 1148/4885
US-20070155825-A1 USE OF BENZO-FUSED HETEROCYCLE SULFAMIDE DERIVATIVES FOR THE TREATMENT OF SUBSTANCE ABUSE AND ADDICTION SULT2A1, SULT1A1, STS POLB 3379/4885CASP6 4482/4885CYP2A6 320/4885
US-20090247617-A1 PROCESS FOR THE PREPARATION OF BENZO-FUSED HETEROARYL SULFAMATES STS, SULT2A1, GABRE POLB 2324/4885CASP6 3580/4885CYP2A6 98/4885
US-20070293440-A1 O-fused heterocycle sulfonylurea compounds with another anticonvulsant or antiepileptic agent such as carbamazepine GABBR1, GABRB2, GABRE POLB 4205/4885CASP6 2721/4885CYP2A6 650/4885
US-20120065257-A1 USE OF BENZO-FUSED HETEROCYLE SULFAMIDE DERIVATIVES FOR THE TREATMENT OF MIGRAINE CNR2, FAAH2, CCKBR POLB 4390/4885CASP6 3872/4885CYP2A6 1148/4885
US-20070155826-A1 USE OF BENZO-FUSED HETEROCYLE SULFAMIDE DERIVATIVES FOR THE TREATMENT OF MANIA AND BIPOLAR DISORDER GABBR1, GABBR2, SQOR POLB 3579/4885CASP6 4111/4885CYP2A6 785/4885
US-20070155821-A1 USE OF BENZO-FUSED HETEROCYCLE SULFAMIDE DERIVATIVES FOR LOWERING LIPIDS AND LOWERING BLOOD GLUCOSE LEVELS GPR119, LIPC, GLP1R POLB 4324/4885CASP6 3334/4885CYP2A6 833/4885

“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.