SCHEMBL1242907

SCHEMBL1242907

O=S(=O)(NCCCN1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)CNCC2

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 6/20 0.65
SMN1; SMN2 Q16637 2/20 0.61
ALDH1A1 P00352 4/20 0.60
TSHR P16473 1/20 0.60
TPSAB1 Q15661 1/20 0.52
HTR2C P28335 2/20 0.48
HTR2B P41595 2/20 0.48
PNMT P11086 3/20 0.48
LMNA P02545 3/20 0.47
KMT2A Q03164 1/20 0.46
POLB P06746 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL6802856 0.88 HTR7 (0.58) HTR7SMN1; SMN2ALDH1A1TSHRHTR2C
Hydrochloric Acid SCHEMBL6798090 0.87 HTR7 (0.57) HTR7SMN1; SMN2ALDH1A1TSHRHTR2C
SCHEMBL1243526 0.87 HRH3 (0.57) HTR7TPSAB1HTR2CHTR2BPNMT
SCHEMBL1242901 0.84 POLB (0.60) ALDH1A1TPSAB1HTR2CHTR2BPNMT
SCHEMBL1243584 0.82 PNMT (0.55) HTR7TPSAB1HTR2CHTR2BPNMT
SCHEMBL1243393 0.80 TPSAB1 (0.51) HTR7TPSAB1HTR2CHTR2BPNMT
SCHEMBL17258825 0.80 PNMT (0.57) SMN1; SMN2TPSAB1HTR2CHTR2BPNMT
SCHEMBL24069061 0.79 HTR7 (1.00) HTR7SMN1; SMN2ALDH1A1HTR2CKMT2A
SCHEMBL6800444 0.79 HTR2C (0.57) HTR7SMN1; SMN2ALDH1A1TSHRTPSAB1
Hydrochloric Acid SCHEMBL6807636 0.78 HTR2C (0.56) HTR7SMN1; SMN2ALDH1A1TSHRTPSAB1

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 HTR7 227/4885SMN1; SMN2 45/4885ALDH1A1 910/4885
US-20070105834-A1 TETRAHYDROISOQUINOLINE SULFONAMIDE DERIVATIVES, THE PREPARATION THEREOF, AND THE USE OF THE SAME IN THERAPEUTICS BACE1, SLC6A2, KCNQ2 HTR7 175/4885SMN1; SMN2 35/4885ALDH1A1 697/4885
US-20110028475-A1 TETRAHYDROISOQUINOLINE SULFONAMIDE DERIVATIVES, THE PREPARATION THEREOF, AND THE USE OF THE SAME IN THERAPEUTICS BACE1, HTR2B, KCNQ2 HTR7 227/4885SMN1; SMN2 45/4885ALDH1A1 910/4885

“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.