SCHEMBL5698367

SCHEMBL5698367

Nc1cccc2c1ccn2S(=O)(=O)c1cccc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 13/20 0.56
BCHE P06276 1/20 0.53
DRD2 P14416 3/20 0.51
DRD3 P35462 2/20 0.51
HTR2A P28223 1/20 0.50
HTR7 P34969 1/20 0.50
HTT P42858 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
FABP4 P15090 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
KEAP1 Q14145 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL4051395 0.83 HTR6 (0.56) HTR6DRD3HTR7CA1CA2
SCHEMBL29686864 0.79 HTR6 (0.68) HTR6DRD2DRD3HTR2AHTR7
SCHEMBL5746143 0.79 HTR6 (0.68) HTR6DRD2DRD3HTR2AHTR7
SCHEMBL5698343 0.79 MET (0.53) HTR6BCHEDRD2DRD3HTR2A
SCHEMBL1136474 0.75 HTR6 (0.76) HTR6DRD2DRD3HTR2AHTR7
Hydrochloric Acid SCHEMBL4319125 0.74 HTR6 (0.74) HTR6DRD2DRD3HTR2AHTR7
SCHEMBL4562485 0.74 HTR6 (0.59) HTR6DRD3HTR7MEN1KMT2A
SCHEMBL11218072 0.72 HTR6 (0.59) HTR6DRD3HTR7HTTMEN1
SCHEMBL30949526 0.72 HTR6 (0.59) HTR6DRD3HTR7HTTMEN1
SCHEMBL6643269 0.72 RAPGEF4 (0.52) HTR6BCHEDRD2DRD3HTT

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
EP-1401812-B1 4-PIPERAZINYLINDOLE DERIVATIVES WITH 5-HT6 RECEPTOR AFFINITY HOFFMANN LA ROCHE (CH) 2006-06-28 EP disclosed
US-6790848-B2 TREATING CENTRAL NERVOUS SYSTEM OR GASTROINTESTINAL DISORDERS SYNTEX (U.S.A.) LLC 2004-09-14 US disclosed
EP-1401812-A1 4-PIPERAZINYLINDOLE DERIVATIVES WITH 5-HT6 RECEPTOR AFFINITY F. HOFFMANN-LA ROCHE AG (CH) 2004-03-31 EP disclosed
US-20030045527-A1 4-piperazinylindole derivatives with 5-HT6 receptor affinity SYNTEX (U.S.A.) LLC 2003-03-06 US disclosed
WO-2002102774-A1 4-PIPERAZINYLINDOLE DERIVATIVES WITH 5-HT6 RECEPTOR AFFINITY F. HOFFMANN-LA ROCHE AG (CH) 2002-12-27 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 (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-20030045527-A1 4-piperazinylindole derivatives with 5-HT6 receptor affinity HTR6, HTR5A, HTR3A HTR6 1/4885BCHE 3750/4885DRD2 35/4885

“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.