SCHEMBL1241174

SCHEMBL1241174

CN1CCCC1CCNS(=O)(=O)c1ccc2c(c1)C(OC(=O)C(=O)ON(CCC1CCCN1C)S(=O)(=O)c1ccc3c(c1)CN(CC1CCCCC1)CC3)N(CC1CCCCC1)CC2

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HRH3 Q9Y5N1 2/20 0.35
HTR7 P34969 3/20 0.33
MOGAT2 Q3SYC2 1/20 0.32
METAP2 P50579 1/20 0.32
PDE5A O76074 1/20 0.32
HTT P42858 1/20 0.32
BCL2 P10415 1/20 0.32
BCL2L1 Q07817 1/20 0.32
APP P05067 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
OPRK1 P41145 1/20 0.32
TP53 P04637 1/20 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
Oxalic Acid SCHEMBL1241171 0.83 HRH3 (0.44) TSHRALDH1A1HRH3HTR7MOGAT2
SCHEMBL2400927 0.83 HRH3 (0.46) TSHRALDH1A1HRH3HTR7MOGAT2
SCHEMBL1241268 0.83 HRH3 (0.46) TSHRALDH1A1HRH3HTR7MOGAT2
Water SCHEMBL16161850 0.82 HRH3 (0.46) TSHRALDH1A1HRH3HTR7MOGAT2
Fumaric Acid SCHEMBL9898674 0.80 TSHR (0.41) TSHRALDH1A1HRH3HTR7MOGAT2
Fumaric Acid SCHEMBL9898673 0.80 TSHR (0.41) TSHRALDH1A1HRH3HTR7MOGAT2
SCHEMBL5630601 0.80 HTR7 (0.45) TSHRALDH1A1HRH3HTR7PDE5A
Fumaric Acid SCHEMBL2435679 0.79 TSHR (0.41) TSHRALDH1A1HRH3HTR7MOGAT2
Fumaric Acid SCHEMBL27987046 0.79 TSHR (0.41) TSHRALDH1A1HRH3HTR7MOGAT2
Fumaric Acid SCHEMBL2435682 0.79 TSHR (0.41) TSHRALDH1A1HRH3HTR7MOGAT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524700-B2 Tetrahydroisoquinoline sulfonamide derivatives, the preparation thereof, and the use of the same in therapeutics SANOFI (FR) 2013-09-03 US 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

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 TSHR 1961/4885ALDH1A1 910/4885HRH3 104/4885
US-20070105834-A1 TETRAHYDROISOQUINOLINE SULFONAMIDE DERIVATIVES, THE PREPARATION THEREOF, AND THE USE OF THE SAME IN THERAPEUTICS BACE1, SLC6A2, KCNQ2 TSHR 2053/4885ALDH1A1 697/4885HRH3 128/4885
US-20110028475-A1 TETRAHYDROISOQUINOLINE SULFONAMIDE DERIVATIVES, THE PREPARATION THEREOF, AND THE USE OF THE SAME IN THERAPEUTICS BACE1, HTR2B, KCNQ2 TSHR 1961/4885ALDH1A1 910/4885HRH3 104/4885

“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.