SCHEMBL739877

SCHEMBL739877

NCCc1cccc2c1ccn2S(=O)(=O)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 20/20 1.00
HTR1A P08908 2/20 1.00
HTR1D P28221 2/20 1.00
HTR1B P28222 2/20 1.00
HTR1F P30939 2/20 1.00
HTR7 P34969 2/20 1.00
DRD3 P35462 2/20 1.00
DRD2 P14416 1/20 0.70
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59

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 SCHEMBL7433685 0.95 HTR6 (0.90) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL7439766 0.92 HTR6 (0.85) HTR6HTR1AHTR1DHTR1BHTR1F
Trifluoroacetic Acid SCHEMBL4019041 0.91 HTR6 (0.82) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL3611374 0.89 HTR6 (0.80) HTR6HTR1AHTR1DHTR1BHTR1F
Oxalic Acid SCHEMBL7443102 0.87 HTR6 (0.77) HTR6HTR1AHTR1DHTR1BHTR1F
Hydrochloric Acid SCHEMBL3624923 0.87 HTR6 (0.78) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL4023837 0.86 HTR6 (0.76) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL4029770 0.84 HTR6 (0.72) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL7449413 0.83 HTR6 (0.71) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL16796502 0.83 HTR6 (0.71) HTR6HTR1AHTR1DHTR1BHTR1F

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030139424-A1 Use BIOVITRUM AB (SE) 2003-07-24 US claimed
US-6187805-B1 TREATING CONDITION FOR WHICH SELECTIVE AGONISM OR ANTAGONISM OF 5-HT-6 RECEPTORS IS INDICATED BY ADMINISTERING COMPOUNDS SUCH AS N,N-DIMETHYL 2-(1-(BENZENESULPHONYL)-5-METHOXY-1H-INDOL-3-YL)ETHYLAMINE MERCK SHARP & DOHME LTD. (GB) 2001-02-13 US claimed
US-8138333-B2 Sulfonyl-indole derivatives PROXIMAGEN LIMITED (GB) 2012-03-20 US disclosed
US-8138333-B2 Sulfonyl-indole derivatives PROXIMAGEN LIMITED (GB) 2012-03-20 US disclosed
US-8138333-B2 Sulfonyl-indole derivatives PROXIMAGEN LIMITED (GB) 2012-03-20 US disclosed
EP-2134714-A1 TRICYCLIC ISOQUINOLINE DERIVATIVES FOR TREATMENT OF OBESITY Biovitrum AB (publ) (SE) 2009-12-23 EP disclosed
US-20080293694-A1 New compounds BIOVITRUM AB (PUBL.) (SE) 2008-11-27 US disclosed
US-20080293694-A1 New compounds BIOVITRUM AB (PUBL.) (SE) 2008-11-27 US disclosed
US-20080293694-A1 New compounds BIOVITRUM AB (PUBL.) (SE) 2008-11-27 US disclosed
WO-2008110598-A1 TRICYCLIC ISOQUINOLINE DERIVATIVES FOR TREATMENT OF OBESITY BIOVITRUM AB (PUBL) (SE) 2008-09-18 WO disclosed
WO-2008110598-A1 TRICYCLIC ISOQUINOLINE DERIVATIVES FOR TREATMENT OF OBESITY BIOVITRUM AB (PUBL) (SE) 2008-09-18 WO disclosed
US-20030139424-A1 Use BIOVITRUM AB (SE) 2003-07-24 US disclosed
US-6187805-B1 TREATING CONDITION FOR WHICH SELECTIVE AGONISM OR ANTAGONISM OF 5-HT-6 RECEPTORS IS INDICATED BY ADMINISTERING COMPOUNDS SUCH AS N,N-DIMETHYL 2-(1-(BENZENESULPHONYL)-5-METHOXY-1H-INDOL-3-YL)ETHYLAMINE MERCK SHARP & DOHME LTD. (GB) 2001-02-13 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 (2 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-20080293694-A1 New compounds HTR6, HTR1A, HTR1B HTR6 1/4885HTR1A 2/4885HTR1D 11/4885
US-20030139424-A1 Use TPH1, IDO1, TPH2 HTR6 25/4885HTR1A 32/4885HTR1D 103/4885

“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.