SCHEMBL1243584

SCHEMBL1243584

O=S(=O)(NCCCN1CC=CC1)c1ccc2c(c1)CNCC2

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PNMT P11086 7/20 0.55
TPSAB1 Q15661 1/20 0.55
HTR2C P28335 4/20 0.55
HTR2B P41595 3/20 0.55
ADRA2A P08913 1/20 0.49
ADRA2B P18089 1/20 0.49
ADRA2C P18825 1/20 0.49
HTR7 P34969 3/20 0.47
DRD2 P14416 1/20 0.43
HTR2A P28223 1/20 0.43
DRD3 P35462 1/20 0.43
HTR6 P50406 1/20 0.43

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
SCHEMBL1243393 0.93 TPSAB1 (0.51) PNMTTPSAB1HTR2CHTR2BADRA2A
SCHEMBL1243526 0.89 HRH3 (0.57) PNMTTPSAB1HTR2CHTR2BADRA2A
SCHEMBL1242901 0.86 POLB (0.60) PNMTTPSAB1HTR2CHTR2B
SCHEMBL1242907 0.82 HTR7 (0.65) PNMTTPSAB1HTR2CHTR2BHTR7
SCHEMBL17258825 0.81 PNMT (0.57) PNMTTPSAB1HTR2CHTR2BADRA2A
SCHEMBL1241258 0.81 HTR7 (0.55) HTR7DRD2DRD3HTR6
SCHEMBL1244028 0.79 PNMT (0.61) PNMTTPSAB1HTR2CHTR2BADRA2A
SCHEMBL5629013 0.77 PNMT (0.50) PNMTTPSAB1HTR2CHTR2B
SCHEMBL1241257 0.77 HTR2C (0.61) PNMTTPSAB1HTR2CHTR2BADRA2A
SCHEMBL6163006 0.76 PNMT (0.72) PNMTTPSAB1HTR2CHTR2BADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1753725-B1 TETRAHYDROISOQUINOLINE SULFONAMIDE DERIVATIVES, THE PREPARATION THEREOF, AND THE USE OF THE SAME IN THERAPEUTICS SANOFI SA (FR) 2013-02-27 EP claimed
US-8273733-B2 Tetrahydroisoquinoline sulfonamide derivatives, the preparation thereof, and the use of the same in therapeutics SANOFI (FR) 2012-09-25 US claimed
US-20110028475-A1 TETRAHYDROISOQUINOLINE SULFONAMIDE DERIVATIVES, THE PREPARATION THEREOF, AND THE USE OF THE SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2011-02-03 US claimed
US-7833999-B2 Tetrahydroisoquinoline sulfonamide derivatives, the preparation thereof, and the use of the same in therapeutics SANOFI-AVENTIS (FR) 2010-11-16 US claimed
US-20070105834-A1 TETRAHYDROISOQUINOLINE SULFONAMIDE DERIVATIVES, THE PREPARATION THEREOF, AND THE USE OF THE SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2007-05-10 US claimed
EP-1753725-A1 TETRAHYDROISOQUINOLINE SULFONAMIDE DERIVATIVES, THE PREPARATION THEREOF, AND THE USE OF THE SAME IN THERAPEUTICS Sanofi-Aventis (FR) 2007-02-21 EP claimed
WO-2005118547-A1 TETRAHYDROISOQUINOLINE SULFONAMIDE DERIVATIVES, THE PREPARATION THEREOF, AND THE USE OF THE SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2005-12-15 WO claimed
US-8524700-B2 Tetrahydroisoquinoline sulfonamide derivatives, the preparation thereof, and the use of the same in therapeutics SANOFI (FR) 2013-09-03 US disclosed
EP-1753725-B1 TETRAHYDROISOQUINOLINE SULFONAMIDE DERIVATIVES, THE PREPARATION THEREOF, AND THE USE OF THE SAME IN THERAPEUTICS SANOFI SA (FR) 2013-02-27 EP disclosed
US-20120323003-A1 TETRAHYDROISOQUINOLINE SULFONAMIDE DERIVATIVES, THE PREPARATION THEREOF, AND THE USE OF THE SAME IN THERAPEUTICS SANOFI (FR) 2012-12-20 US disclosed
US-8273733-B2 Tetrahydroisoquinoline sulfonamide derivatives, the preparation thereof, and the use of the same in therapeutics SANOFI (FR) 2012-09-25 US disclosed
US-20110028475-A1 TETRAHYDROISOQUINOLINE SULFONAMIDE DERIVATIVES, THE PREPARATION THEREOF, AND THE USE OF THE SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2011-02-03 US disclosed
US-7833999-B2 Tetrahydroisoquinoline sulfonamide derivatives, the preparation thereof, and the use of the same in therapeutics SANOFI-AVENTIS (FR) 2010-11-16 US disclosed
US-20070105834-A1 TETRAHYDROISOQUINOLINE SULFONAMIDE DERIVATIVES, THE PREPARATION THEREOF, AND THE USE OF THE SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2007-05-10 US disclosed
EP-1753725-A1 TETRAHYDROISOQUINOLINE SULFONAMIDE DERIVATIVES, THE PREPARATION THEREOF, AND THE USE OF THE SAME IN THERAPEUTICS Sanofi-Aventis (FR) 2007-02-21 EP disclosed
WO-2005118547-A1 TETRAHYDROISOQUINOLINE SULFONAMIDE DERIVATIVES, THE PREPARATION THEREOF, AND THE USE OF THE SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2005-12-15 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 (3 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-20120323003-A1 TETRAHYDROISOQUINOLINE SULFONAMIDE DERIVATIVES, THE PREPARATION THEREOF, AND THE USE OF THE SAME IN THERAPEUTICS BACE1, HTR2B, KCNQ2 PNMT 59/4885TPSAB1 477/4885HTR2C 26/4885
US-20070105834-A1 TETRAHYDROISOQUINOLINE SULFONAMIDE DERIVATIVES, THE PREPARATION THEREOF, AND THE USE OF THE SAME IN THERAPEUTICS BACE1, SLC6A2, KCNQ2 PNMT 30/4885TPSAB1 552/4885HTR2C 23/4885
US-20110028475-A1 TETRAHYDROISOQUINOLINE SULFONAMIDE DERIVATIVES, THE PREPARATION THEREOF, AND THE USE OF THE SAME IN THERAPEUTICS BACE1, HTR2B, KCNQ2 PNMT 59/4885TPSAB1 477/4885HTR2C 26/4885

“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.