SCHEMBL3874154

SCHEMBL3874154

CN1CCc2c([nH]c3ccc(NS(=O)(=O)c4csc5nc(C(F)(F)F)cn45)cc23)C1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.45
HTR1A P08908 2/20 0.45
HTR2C P28335 2/20 0.45
HTR7 P34969 2/20 0.45
TRPV1 Q8NER1 1/20 0.38
MAPT P10636 9/20 0.38
TP53 P04637 5/20 0.38
LMNA P02545 3/20 0.38
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.36
THRB P10828 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
SCHEMBL3872963 0.80 HTR6 (0.42) HTR6HTR1AHTR2CHTR7TRPV1
SCHEMBL4026117 0.77 HTR6 (0.55) HTR6
SCHEMBL3874868 0.73 HTR6 (0.57) HTR6HTR1AHTR2CHTR7MAPT
SCHEMBL4022862 0.73 HTR6 (0.59) HTR6HTR1AHTR2CHTR7MAPT
SCHEMBL3873167 0.73 MAPT (0.63) HTR6HTR1AHTR2CHTR7MAPT
SCHEMBL4024729 0.73 HTR6 (0.56) HTR6HTR1AHTR2CHTR7KDM4E
SCHEMBL3877938 0.73 KDM4E (0.50) HTR6HTR1AHTR2CHTR7MAPT
Hydrochloric Acid SCHEMBL4031202 0.72 HTR6 (0.60) HTR6HTR1AHTR2CHTR7MAPT
SCHEMBL12316100 0.72 HTR2C (0.56) HTR6HTR1AHTR2CHTR7MAPT
SCHEMBL12316095 0.71 HTR2C (0.55) HTR6HTR1AHTR2CHTR7MAPT

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 HTR6 1/4885HTR1A 9/4885HTR2C 6/4885

“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.