SCHEMBL406079

SCHEMBL406079

CC(C)(C)C1COc2cc3ccccc3cc2O1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.47
CASP6 P55212 1/20 0.40
ALDH1A1 P00352 7/20 0.38
HPGD P15428 5/20 0.38
ADRA1D P25100 3/20 0.38
ADRA1A P35348 3/20 0.38
ADRA1B P35368 3/20 0.38
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 5/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
PKM P14618 1/20 0.38
CYP2C19 P33261 1/20 0.38
GAA P10253 2/20 0.36
BLM P54132 1/20 0.36

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
SCHEMBL19565507 0.82 NISCH (0.44) POLB
SCHEMBL12610431 0.82 NISCH (0.44) POLB
SCHEMBL406202 0.82 NISCH (0.44) POLB
SCHEMBL406459 0.80 POLB (0.43) POLBCASP6ALDH1A1HPGDADRA1D
SCHEMBL21346940 0.77 POLB (0.50) POLBCASP6ALDH1A1HPGDADRA1D
SCHEMBL19393069 0.76 CA2 (0.46) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL13652012 0.75 CA2 (0.45) L3MBTL1
SCHEMBL20618592 0.75 MAPT (0.43) ALDH1A1RAB9AKDM4EMAPTL3MBTL1
SCHEMBL17147894 0.75 AKR1B1 (0.44)
SCHEMBL13501482 0.75 CYP19A1 (0.43) ALDH1A1HPGDRAB9ATDP1MAPT

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 23 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-20090247618-A1 PROCESS FOR PREPARATION OF BENZO-FUSED HETEROARYL DERIVATIVES JANSSEN PHARMACEUTICA, N.C. (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 3727/4885ALDH1A1 181/4885
US-20070155823-A1 USE OF BENZO-FUSED HETEROCYCLE SULFAMIDE DERIVATIVES AS NEUROPROTECTIVE AGENTS SMN1; SMN2, BDNF, SIRT1 POLB 4492/4885CASP6 281/4885ALDH1A1 379/4885
US-20070155824-A1 USE OF BENZO-FUSED HETEROCYCLE SULFAMIDE DERIVATIVES FOR DISEASE MODIFICATION / EPILEPTOGENESIS STS, GABRB2, SULT2A1 POLB 3558/4885CASP6 977/4885ALDH1A1 267/4885
US-20070155827-A1 USE OF BENZO-FUSED HETEROCYCLE SULFAMIDE DERIVATIVES FOR THE TREATMENT OF DEPRESSION SDHA, SQOR, SDHB POLB 3070/4885CASP6 4243/4885ALDH1A1 254/4885
US-20080027131-A1 USE OF BENZO-FUSED HETEROCYCLE SULFAMIDE DERIVATIVES FOR THE TREATMENT OF OBESITY GPR119, GLP1R, GIPR POLB 4489/4885CASP6 3064/4885ALDH1A1 630/4885
US-20070191474-A1 USE OF BENZO-FUSED HETEROCYLE SULFAMIDE DERIVATIVES FOR THE TREATMENT OF MIGRAINE CNR2, FAAH2, CCKBR POLB 4390/4885CASP6 3872/4885ALDH1A1 1511/4885
US-20070155825-A1 USE OF BENZO-FUSED HETEROCYCLE SULFAMIDE DERIVATIVES FOR THE TREATMENT OF SUBSTANCE ABUSE AND ADDICTION SULT2A1, SULT1A1, STS POLB 3379/4885CASP6 4482/4885ALDH1A1 26/4885
US-20090247618-A1 PROCESS FOR PREPARATION OF BENZO-FUSED HETEROARYL DERIVATIVES CYP3A4, CYP3A5, CYP1A2 POLB 1295/4885CASP6 2928/4885ALDH1A1 602/4885
US-20090247617-A1 PROCESS FOR THE PREPARATION OF BENZO-FUSED HETEROARYL SULFAMATES STS, SULT2A1, GABRE POLB 2324/4885CASP6 3580/4885ALDH1A1 874/4885
US-20070293440-A1 O-fused heterocycle sulfonylurea compounds with another anticonvulsant or antiepileptic agent such as carbamazepine GABBR1, GABRB2, GABRE POLB 4205/4885CASP6 2721/4885ALDH1A1 1032/4885
US-20120065257-A1 USE OF BENZO-FUSED HETEROCYLE SULFAMIDE DERIVATIVES FOR THE TREATMENT OF MIGRAINE CNR2, FAAH2, CCKBR POLB 4390/4885CASP6 3872/4885ALDH1A1 1511/4885
US-20070155826-A1 USE OF BENZO-FUSED HETEROCYLE SULFAMIDE DERIVATIVES FOR THE TREATMENT OF MANIA AND BIPOLAR DISORDER GABBR1, GABBR2, SQOR POLB 3579/4885CASP6 4111/4885ALDH1A1 503/4885
US-20070155821-A1 USE OF BENZO-FUSED HETEROCYCLE SULFAMIDE DERIVATIVES FOR LOWERING LIPIDS AND LOWERING BLOOD GLUCOSE LEVELS GPR119, LIPC, GLP1R POLB 4324/4885CASP6 3334/4885ALDH1A1 558/4885

“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.