SCHEMBL3880376

SCHEMBL3880376

CN1CCc2c([nH]c3c(NS(=O)(=O)c4csc5ccccc45)cccc23)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
GHSR Q92847 1/20 0.42
CCKBR P32239 1/20 0.42
CCR1 P32246 1/20 0.37
CCR2 P41597 1/20 0.37
CCR4 P51679 1/20 0.37
PDPK1 O15530 1/20 0.36
HTR2C P28335 3/20 0.35
CHRNA7 P36544 1/20 0.35
DRD2 P14416 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
DRD1 P21728 2/20 0.35
DRD4 P21917 2/20 0.35
DRD5 P21918 2/20 0.35
DRD3 P35462 2/20 0.35
GMNN O75496 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL3875029 0.88 KDM4E (0.47) KDM4EGHSRCCKBRCCR1CCR2
SCHEMBL4023382 0.84 KDM4E (0.48) KDM4EGHSRHTR2CHTR6HTR7
SCHEMBL3885118 0.82 KDM4E (0.50) KDM4EGHSRCCKBRHTR2CCHRNA7
SCHEMBL3877938 0.82 KDM4E (0.50) KDM4EHTR2CCHRNA7DRD2MEN1
SCHEMBL10238666 0.82 CCKBR (0.44) GHSRCCKBRCCR1CCR2CCR4
Hydrochloric Acid SCHEMBL9958756 0.81 CCKBR (0.43) GHSRCCKBRCCR1CCR2CCR4
SCHEMBL4030624 0.80 RAD52 (0.46) KDM4EGHSRHTR2CMEN1KMT2A
SCHEMBL12316152 0.80 HTR6 (0.45) KDM4EGHSRCCR4MEN1KMT2A
SCHEMBL4019412 0.78 EDNRA (0.46) KDM4EKMT2AHTR6
SCHEMBL3880180 0.78 MEN1 (0.50) CCKBRMEN1KMT2ACYP3A4CYP2C9

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1919475-B1 TETRAHYDRO- BETA-CARBOLIN-SULFONAMIDE DERIVATIVES AS 5-HT6 LIGANDS ESTEVE LABOR DR (ES) 2009-03-11 EP claimed
US-8263609-B2 Tetrahydro-β-carbolin-sulfonamide derivatives as 5-Ht6 ligands LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-09-11 US disclosed
US-8263609-B2 Tetrahydro-β-carbolin-sulfonamide derivatives as 5-Ht6 ligands LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-09-11 US disclosed
EP-1919475-B1 TETRAHYDRO- BETA-CARBOLIN-SULFONAMIDE DERIVATIVES AS 5-HT6 LIGANDS ESTEVE LABOR DR (ES) 2009-03-11 EP disclosed
US-20080280942-A1 Tetrahydro-Beta-Carbolin-Sulfonamide Derivatives as 5-Ht6 Ligands LABORATORIES DEL DR. ESTEVE, S.A. (ES) 2008-11-13 US disclosed
US-20080280942-A1 Tetrahydro-Beta-Carbolin-Sulfonamide Derivatives as 5-Ht6 Ligands LABORATORIES DEL DR. ESTEVE, S.A. (ES) 2008-11-13 US disclosed
WO-2007028460-A1 TETRAHYDRO-β-CARBOLIN-SULFONAMIDE DERIVATIVES AS 5-HT6 LIGANDS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-03-15 WO 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 (1 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-20080280942-A1 Tetrahydro-Beta-Carbolin-Sulfonamide Derivatives as 5-Ht6 Ligands HTR6, HTR5A, HTR1B KDM4E 4813/4885GHSR 423/4885CCKBR 38/4885

“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.