SCHEMBL4401620

SCHEMBL4401620

CC(C)(C)N1CCn2cccc2C1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 1/20 0.39
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
OPRM1 P35372 1/20 0.34
GRIN1 Q05586 1/20 0.34
KCNH2 Q12809 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
DRD3 P35462 2/20 0.34
FAAH O00519 1/20 0.34
CYP2B6 P20813 1/20 0.32

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
SCHEMBL8030062 0.74 MAOA (0.43) KCNQ2DRD3FAAH
SCHEMBL14248999 0.70 RIPK1 (0.48) KCNQ2
SCHEMBL19005681 0.69 DRD3 (0.33) KCNQ2DRD3FAAH
SCHEMBL13068650 0.69 DRD3 (0.37) KCNQ2DRD3FAAH
SCHEMBL29321321 0.69 KCNQ2 (0.36) KCNQ2DRD3FAAH
SCHEMBL6369683 0.69 DRD3 (0.41) KCNQ2DRD3
SCHEMBL22867622 0.69 DRD3 (0.34) KCNQ2DRD3FAAH
SCHEMBL2736032 0.68 NAMPT (0.33)
SCHEMBL15448154 0.68 DRD2 (0.36) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL24965062 0.67 COMT (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230226062-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION 2023-07-20 US disclosed
US-20230146675-A1 PYRIMIDO[5,4-d]PYRIMIDINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS iTeos Belgium SA (BE) 2023-05-11 US disclosed
US-20230146675-A1 PYRIMIDO[5,4-d]PYRIMIDINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS iTeos Belgium SA (BE) 2023-05-11 US disclosed
US-20230002383-A1 NOVEL FUNCTIONALIZED LACTAMS AS MODULATORS OF THE 5-HYDROXYTRYPTAMINE RECEPTOR 7 AND THEIR METHOD OF USE PRAEVENTIX, LLC 2023-01-05 US disclosed
US-11542275-B2 Substituted imidazolidin-2-one derivatives as PRMT5 inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2023-01-03 US disclosed
US-20210002298-A1 SUBSTITUTED IMIDAZOLIDIN-2-ONE DERIVATIVES AS PRMT5 INHIBITORS AURIGENE ONCOLOGY LIMITED (IN) 2021-01-07 US disclosed
US-20180177784-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION 2018-06-28 US disclosed
US-9802921-B2 Fluoromethyl-substituted pyrrole carboxamides iv GRUENENTHAL GMBH (DE) 2017-10-31 US disclosed
US-9562036-B2 Fluoromethyl-substituted pyrrole carboxamides as CaV2.2 calcium channel blockers Grünenthal GmbH (DE) 2017-02-07 US disclosed
US-20160297803-A1 FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES IV GRUENENTHAL GMBH (DE) 2016-10-13 US disclosed
US-20110150864-A1 SUBSTITUTED AMINOTHIAZOLONE INDAZOLES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-06-23 US disclosed
US-20100324009-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-23 US disclosed
US-20100317644-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-16 US disclosed
US-20090298812-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-12-03 US disclosed
US-20090253669-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-08 US disclosed
US-20090203672-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-08-13 US disclosed
US-20090186899-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-07-23 US disclosed
US-20090186899-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-07-23 US disclosed
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2008-06-26 US disclosed
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2008-06-26 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 (15 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-20100317644-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 KCNQ2 317/4885GRIN2D 1966/4885GRIN3B 2865/4885
US-11542275-B2 Substituted imidazolidin-2-one derivatives as PRMT5 inhibitors PRMT5, PRMT1, PRMT8 KCNQ2 2410/4885GRIN2D 3570/4885GRIN3B 3179/4885
US-20230146675-A1 PYRIMIDO[5,4-d]PYRIMIDINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS ENTPD5, ENTPD1, SLC29A1 KCNQ2 2588/4885GRIN2D 2164/4885GRIN3B 2378/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 KCNQ2 317/4885GRIN2D 1966/4885GRIN3B 2865/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 KCNQ2 317/4885GRIN2D 1966/4885GRIN3B 2865/4885
US-20090186899-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, NPSR1 KCNQ2 81/4885GRIN2D 478/4885GRIN3B 777/4885
US-20090298812-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, TRPV1 KCNQ2 291/4885GRIN2D 1561/4885GRIN3B 1520/4885
US-20160297803-A1 FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES IV TRPV1, CACNA1B, CACNA1I KCNQ2 30/4885GRIN2D 199/4885GRIN3B 156/4885
US-20090253669-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 KCNQ2 582/4885GRIN2D 2928/4885GRIN3B 4336/4885
US-20180177784-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS CD274, PDCD1, PDCD1LG2 KCNQ2 4603/4885GRIN2D 3076/4885GRIN3B 1841/4885
US-20090203672-A1 Substituted Sulfonamide Compounds RPS4X, RPS4Y1, CACNA1A KCNQ2 477/4885GRIN2D 1562/4885GRIN3B 3005/4885
US-20110150864-A1 SUBSTITUTED AMINOTHIAZOLONE INDAZOLES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS ESR2, ESRRA, IGF1R KCNQ2 2536/4885GRIN2D 3907/4885GRIN3B 2689/4885
US-20230002383-A1 NOVEL FUNCTIONALIZED LACTAMS AS MODULATORS OF THE 5-HYDROXYTRYPTAMINE RECEPTOR 7 AND THEIR METHOD OF USE HTR7, HTR1A, HTR2C KCNQ2 4416/4885GRIN2D 368/4885GRIN3B 148/4885
US-20210002298-A1 SUBSTITUTED IMIDAZOLIDIN-2-ONE DERIVATIVES AS PRMT5 INHIBITORS PRMT5, PRMT1, PRMT8 KCNQ2 2410/4885GRIN2D 3570/4885GRIN3B 3179/4885
US-20230226062-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS CD274, PDCD1, PDCD1LG2 KCNQ2 4603/4885GRIN2D 3076/4885GRIN3B 1841/4885

“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.