SCHEMBL3883100

SCHEMBL3883100

CN1CCc2c([nH]c3ccc[c]c23)C1C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.42
SIRT1 Q96EB6 3/20 0.41
SIRT2 Q8IXJ6 1/20 0.35
ABCB1 P08183 2/20 0.33
ABCG2 Q9UNQ0 2/20 0.33
EGFR P00533 1/20 0.33
LMNA P02545 3/20 0.33
ADRA2A P08913 3/20 0.33
ADRA1A P35348 3/20 0.33
POLB P06746 2/20 0.32
KIF11 P52732 1/20 0.32
DRD5 P21918 1/20 0.32
CYP2D6 P10635 5/20 0.32
CYP3A4 P08684 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HSD17B10 Q99714 2/20 0.32
CYP1A2 P05177 2/20 0.32
TSHR P16473 2/20 0.32
ADRA2B P18089 2/20 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
SCHEMBL3874665 0.81 MAPKAPK2 (0.42) MAPKAPK2SIRT1SIRT2ABCB1ABCG2
SCHEMBL3874880 0.76 MAPKAPK2 (0.47) MAPKAPK2SIRT1SIRT2ABCB1ABCG2
SCHEMBL3873169 0.76 MAPKAPK2 (0.49) MAPKAPK2SIRT1SIRT2ABCB1ABCG2
SCHEMBL7983360 0.70 PRCP (0.31) CYP3A4MEN1KMT2A
SCHEMBL4710631 0.70 HTR1A (0.36) HTR1ADRD2DRD1HTR2ADRD3
SCHEMBL6235510 0.70 MAPKAPK2 (0.81) MAPKAPK2SIRT1ABCG2CYP2D6KMT2A
Hydrochloric Acid SCHEMBL4520497 0.69 HTR1A (0.35) HTR1ADRD2DRD1HTR2ADRD3
SCHEMBL10484426 0.63 CYP19A1 (0.52) MAPKAPK2ABCB1ABCG2EGFRLMNA
SCHEMBL3886844 0.63 SIRT1 (0.44) MAPKAPK2SIRT1SIRT2ABCB1ABCG2
SCHEMBL9686470 0.63 MAPKAPK2 (0.53) MAPKAPK2ABCG2EGFRLMNAADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263609-B2 Tetrahydro-β-carbolin-sulfonamide derivatives as 5-Ht6 ligands LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-09-11 US claimed
EP-1919475-B1 TETRAHYDRO- BETA-CARBOLIN-SULFONAMIDE DERIVATIVES AS 5-HT6 LIGANDS ESTEVE LABOR DR (ES) 2009-03-11 EP claimed
US-20080280942-A1 Tetrahydro-Beta-Carbolin-Sulfonamide Derivatives as 5-Ht6 Ligands LABORATORIES DEL DR. ESTEVE, S.A. (ES) 2008-11-13 US claimed
EP-1919475-A1 TETRAHYDRO- BETA-CARBOLIN-SULFONAMIDE DERIVATIVES AS 5-HT6 LIGANDS Laboratorios del Dr. Esteve S.A. (ES) 2008-05-14 EP claimed
WO-2007028460-A1 TETRAHYDRO-β-CARBOLIN-SULFONAMIDE DERIVATIVES AS 5-HT6 LIGANDS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-03-15 WO 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
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
EP-1919475-A1 TETRAHYDRO- BETA-CARBOLIN-SULFONAMIDE DERIVATIVES AS 5-HT6 LIGANDS Laboratorios del Dr. Esteve S.A. (ES) 2008-05-14 EP 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 MAPKAPK2 3689/4885SIRT1 1156/4885SIRT2 1356/4885

“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.