SCHEMBL3752809

SCHEMBL3752809

COc1cccc(CN2CCc3ccc(S(=O)(=O)NCCC4CCCN4C)cc3C2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
PKM P14618 1/20 0.47
DGAT1 O75907 1/20 0.45
MGAT3 Q09327 1/20 0.45
MGAT2 Q10469 1/20 0.45
HTR7 P34969 3/20 0.43
CHRM2 P08172 1/20 0.43
HTR1A P08908 1/20 0.43
CHRM3 P20309 1/20 0.43
DRD4 P21917 1/20 0.43
ADRA1D P25100 1/20 0.43
HTR2C P28335 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
DRD3 P35462 1/20 0.43
HTR2B P41595 1/20 0.43
SLC6A3 Q01959 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
POLB P06746 2/20 0.42

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
SCHEMBL5629084 0.90 SMN1; SMN2 (0.47) HTR7ALDH1A1KMT2A
SCHEMBL5629647 0.87 POLB (0.44) MAPTHTR7SIGMAR1POLB
SCHEMBL5630748 0.85 HTR7 (0.42) HTR7ALDH1A1
SCHEMBL5632368 0.85 ATM (0.43) HTR7SIGMAR1
SCHEMBL5628430 0.83 HTR7 (0.42) HTR7POLB
SCHEMBL5629574 0.83 MCHR1 (0.44) MAPTCHRM3POLBALDH1A1KMT2A
SCHEMBL5630601 0.82 HTR7 (0.45) HTR7HTR2CDRD3HTR2BPOLB
SCHEMBL14947355 0.81 TSHR (0.45) HTR7HTR2CDRD3HTR2BPOLB
SCHEMBL1241268 0.80 HRH3 (0.46) HTR7ALDH1A1
SCHEMBL2400927 0.80 HRH3 (0.46) HTR7ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1956962-A Tetrahydroisoquinoline sulfonamide derivatives, their preparation and their use in therapy SANOFI AVENTIS (FR) 2007-05-02 CN claimed
CN-1956962-B Tetrahydroisoquinoline sulfonamide derivatives, their preparation and their use in therapy SANOFI AVENTIS 2014-08-20 CN 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
CN-1956962-A Tetrahydroisoquinoline sulfonamide derivatives, their preparation and their use in therapy SANOFI AVENTIS (FR) 2007-05-02 CN 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-20070105834-A1 TETRAHYDROISOQUINOLINE SULFONAMIDE DERIVATIVES, THE PREPARATION THEREOF, AND THE USE OF THE SAME IN THERAPEUTICS BACE1, SLC6A2, KCNQ2 MAPT 53/4885PKM 797/4885DGAT1 1995/4885

“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.