SCHEMBL2172076

SCHEMBL2172076

CN1CCC(Nc2cccc(NS(=O)(=O)c3ccc(Br)cc3)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 1/20 0.52
HTR6 P50406 6/20 0.51
HTR1A P08908 3/20 0.51
HTR7 P34969 3/20 0.51
CYP3A4 P08684 2/20 0.51
HTR2A P28223 2/20 0.51
HTR2C P28335 2/20 0.51
DRD3 P35462 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
DRD2 P14416 1/20 0.51
HTR1D P28221 1/20 0.51
HTR1B P28222 1/20 0.51
HTR1E P28566 1/20 0.51
HTR1F P30939 1/20 0.51
CYP2C19 P33261 1/20 0.51
ADRA1B P35368 1/20 0.51
HTR2B P41595 1/20 0.51
HTR4 Q13639 1/20 0.51
ITGA1 P56199 1/20 0.47

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
SCHEMBL2184543 0.89 FFAR1 (0.50) HTR6CYP3A4CYP19A1BRD4MAPT
SCHEMBL6118790 0.89 HTR6 (0.59) HTR6HTR1AHTR7CYP3A4HTR2A
SCHEMBL2170110 0.88 L3MBTL1 (0.52) HTR6HTR1AHTR7CYP3A4HTR2A
SCHEMBL6118004 0.86 SLC2A1 (0.53) HTR6HTR1AHTR7CYP3A4HTR2A
SCHEMBL6118762 0.82 CYP3A4 (0.50) HTR6HTR1AHTR7CYP3A4HTR2A
SCHEMBL2169945 0.82 HTR6 (0.50) HTR6HTR1AHTR7CYP3A4HTR2A
SCHEMBL5214543 0.80 ITGA1 (0.58) HSD17B2HTR6HTR1AHTR7CYP3A4
SCHEMBL2170411 0.78 CYP3A4 (0.58) HTR6HTR1AHTR7CYP3A4HTR2A
SCHEMBL2169909 0.77 CYP3A4 (0.54) HTR6HTR1AHTR7CYP3A4HTR2A
SCHEMBL4254479 0.76 MAPK1 (0.67) HTR1AHTR7CYP3A4SMN1; SMN2LMNA

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-2346847-B1 ARYL SULFONAMIDE AMINE COMPOUNDS AND THEIR USE AS 5-HT6 LIGANDS SUVEN LIFE SCIENCES LTD (IN) 2013-05-15 EP claimed
US-20120129816-A1 ARYL SULFONAMIDE AMINE COMPOUNDS AND THEIR USE AS 5-HT6 LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2012-05-24 US claimed
EP-2346847-B1 ARYL SULFONAMIDE AMINE COMPOUNDS AND THEIR USE AS 5-HT6 LIGANDS SUVEN LIFE SCIENCES LTD (IN) 2013-05-15 EP disclosed
US-8404720-B2 Aryl sulfonamide amine compounds and their use as 5-HT6 ligands SUVEN LIFE SCIENCES LIMITED (IN) 2013-03-26 US disclosed
US-20120129816-A1 ARYL SULFONAMIDE AMINE COMPOUNDS AND THEIR USE AS 5-HT6 LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2012-05-24 US disclosed
EP-2346847-A1 ARYL SULFONAMIDE AMINE COMPOUNDS AND THEIR USE AS 5-HT6 LIGANDS Suven Life Sciences Limited (IN) 2011-07-27 EP disclosed
WO-2010032258-A1 ARYL SULFONAMIDE AMINE COMPOUNDS AND THEIR USE AS 5-HT6 LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2010-03-25 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-20120129816-A1 ARYL SULFONAMIDE AMINE COMPOUNDS AND THEIR USE AS 5-HT6 LIGANDS HTR6, HTR1A, HTR5A HSD17B2 1917/4885HTR6 1/4885HTR1A 2/4885

“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.