SCHEMBL406459

SCHEMBL406459

CC(C)(C)C1COc2cc3ccccc3cc2OC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
ADRA1D P25100 3/20 0.35
ADRA1A P35348 3/20 0.35
ADRA1B P35368 3/20 0.35
CASP6 P55212 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
PKM P14618 1/20 0.34
CYP2C19 P33261 1/20 0.34
LTA4H P09960 2/20 0.34
CYP19A1 P11511 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34

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
SCHEMBL406192 0.84 MEN1 (0.44) MEN1KMT2ALTA4HCRHBPCRHR2
SCHEMBL406079 0.80 POLB (0.47) POLBADRA1DADRA1AADRA1BCASP6
SCHEMBL21346940 0.73 POLB (0.50) POLBADRA1DADRA1AADRA1BCASP6
SCHEMBL21316462 0.72 TP53 (0.42) LTA4H
SCHEMBL21316460 0.72 TP53 (0.42) LTA4H
SCHEMBL18469473 0.72 TP53 (0.42) LTA4H
SCHEMBL406194 0.69 POLB (0.47) POLBCASP6CYP1A2MAPTTDP1
SCHEMBL1840582 0.69 ABCG2 (0.60) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL1842960 0.69 ITGB2 (0.60) POLBCASP6MAPTCRHBPCRHR2
SCHEMBL31136765 0.66 POLB (0.40) POLBADRA1DADRA1AADRA1BMEN1

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-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
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

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 4523/4885ADRA1D 2754/4885ADRA1A 1721/4885
US-20070155823-A1 USE OF BENZO-FUSED HETEROCYCLE SULFAMIDE DERIVATIVES AS NEUROPROTECTIVE AGENTS SMN1; SMN2, BDNF, SIRT1 POLB 4492/4885ADRA1D 4217/4885ADRA1A 4118/4885
US-20070155824-A1 USE OF BENZO-FUSED HETEROCYCLE SULFAMIDE DERIVATIVES FOR DISEASE MODIFICATION / EPILEPTOGENESIS STS, GABRB2, SULT2A1 POLB 3558/4885ADRA1D 4625/4885ADRA1A 4348/4885
US-20070155827-A1 USE OF BENZO-FUSED HETEROCYCLE SULFAMIDE DERIVATIVES FOR THE TREATMENT OF DEPRESSION SDHA, SQOR, SDHB POLB 3070/4885ADRA1D 2744/4885ADRA1A 2030/4885
US-20080027131-A1 USE OF BENZO-FUSED HETEROCYCLE SULFAMIDE DERIVATIVES FOR THE TREATMENT OF OBESITY GPR119, GLP1R, GIPR POLB 4489/4885ADRA1D 2464/4885ADRA1A 1901/4885
US-20090247616-A1 USE OF BENZO-FUSED HETEROCYLE SULFAMIDE DERIVATIVES FOR THE TREATMENT OF ANXIETY GABBR1, GABBR2, XDH POLB 3535/4885ADRA1D 1566/4885ADRA1A 1032/4885
US-20070191474-A1 USE OF BENZO-FUSED HETEROCYLE SULFAMIDE DERIVATIVES FOR THE TREATMENT OF MIGRAINE CNR2, FAAH2, CCKBR POLB 4390/4885ADRA1D 3264/4885ADRA1A 2851/4885
US-20070155825-A1 USE OF BENZO-FUSED HETEROCYCLE SULFAMIDE DERIVATIVES FOR THE TREATMENT OF SUBSTANCE ABUSE AND ADDICTION SULT2A1, SULT1A1, STS POLB 3379/4885ADRA1D 1841/4885ADRA1A 1377/4885
US-20090247617-A1 PROCESS FOR THE PREPARATION OF BENZO-FUSED HETEROARYL SULFAMATES STS, SULT2A1, GABRE POLB 2324/4885ADRA1D 4449/4885ADRA1A 4445/4885
US-20070293440-A1 O-fused heterocycle sulfonylurea compounds with another anticonvulsant or antiepileptic agent such as carbamazepine GABBR1, GABRB2, GABRE POLB 4205/4885ADRA1D 4540/4885ADRA1A 4466/4885
US-20120065257-A1 USE OF BENZO-FUSED HETEROCYLE SULFAMIDE DERIVATIVES FOR THE TREATMENT OF MIGRAINE CNR2, FAAH2, CCKBR POLB 4390/4885ADRA1D 3264/4885ADRA1A 2851/4885
US-20070155826-A1 USE OF BENZO-FUSED HETEROCYLE SULFAMIDE DERIVATIVES FOR THE TREATMENT OF MANIA AND BIPOLAR DISORDER GABBR1, GABBR2, SQOR POLB 3579/4885ADRA1D 2819/4885ADRA1A 2682/4885
US-20070155821-A1 USE OF BENZO-FUSED HETEROCYCLE SULFAMIDE DERIVATIVES FOR LOWERING LIPIDS AND LOWERING BLOOD GLUCOSE LEVELS GPR119, LIPC, GLP1R POLB 4324/4885ADRA1D 3763/4885ADRA1A 3295/4885

“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.