SCHEMBL5971964

SCHEMBL5971964

O=S(=O)(c1ccc(N2CCNCC2)cc1Cl)c1c[nH]c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 15/20 0.47
ADRB1 P08588 2/20 0.47
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45
JAK3 P52333 1/20 0.45
HTR1A P08908 2/20 0.43
HTR7 P34969 2/20 0.43
HTR2B P41595 2/20 0.43
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
THRB P10828 1/20 0.43
CYP2C9 P11712 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
SLC6A4 P31645 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL5971998 0.88 MEN1 (0.46) HTR6ADRB1HTR1AHTR7HTR2B
SCHEMBL5972080 0.88 HTR6 (0.52) HTR6HTR7HTR2BTP53HTR2C
SCHEMBL5202507 0.86 HTR6 (0.52) HTR6ADRB1HTR1AHTR7HTR2B
SCHEMBL5972078 0.86 ADRB1 (0.44) HTR6ADRB1HTR1AHTR7HTR2B
SCHEMBL5972087 0.82 HTR6 (0.62) HTR6AKT1PIK3CA
SCHEMBL5201185 0.80 HTR6 (0.49) HTR6ADRB1HTR1AHTR7HTR2B
SCHEMBL5971920 0.80 HTR6 (0.59) HTR6ADRB1AKT1PIK3CA
SCHEMBL5201164 0.78 HTR6 (0.62) HTR6
Hydrochloric Acid SCHEMBL5205751 0.77 HTR6 (0.63) HTR6
SCHEMBL5202164 0.76 ADRB1 (0.52) HTR6ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1556037-B1 4-PIPERAZINYL BENZENESULFONYL INDOLES WITH 5-HT6 RECEPTOR AFFINITY HOFFMANN LA ROCHE (CH) 2006-11-02 EP claimed
EP-1556037-A1 4-PIPERAZINYL BENZENESULFONYL INDOLES WITH 5-HT6 RECEPTOR AFFINITY F. HOFFMANN-LA ROCHE AG (CH) 2005-07-27 EP claimed
WO-2004035047-A1 4-PIPERAZINYL BENZENESULFONYL INDOLES WITH 5-HT6 RECEPTOR AFFINITY F. HOFFMANN-LA ROCHE AG (CH) 2004-04-29 WO claimed
EP-1556037-B1 4-PIPERAZINYL BENZENESULFONYL INDOLES WITH 5-HT6 RECEPTOR AFFINITY HOFFMANN LA ROCHE (CH) 2006-11-02 EP disclosed
US-7022708-B2 4-piperazinyl benzenesulfonyl indoles and uses thereof ROCHE PALO ALTO LLC (US) 2006-04-04 US disclosed
EP-1556037-A1 4-PIPERAZINYL BENZENESULFONYL INDOLES WITH 5-HT6 RECEPTOR AFFINITY F. HOFFMANN-LA ROCHE AG (CH) 2005-07-27 EP disclosed
US-20040087593-A1 4-Piperazinyl benzenesulfonyl indoles and uses thereof ROCHE PALO ALTO LLC 2004-05-06 US disclosed
WO-2004035047-A1 4-PIPERAZINYL BENZENESULFONYL INDOLES WITH 5-HT6 RECEPTOR AFFINITY F. HOFFMANN-LA ROCHE AG (CH) 2004-04-29 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-20040087593-A1 4-Piperazinyl benzenesulfonyl indoles and uses thereof HTR6, HTR4, HTR5A HTR6 1/4885ADRB1 40/4885JAK2 358/4885

“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.