SCHEMBL5201769

SCHEMBL5201769

CN1CCN(c2cccc3cc(S(=O)(=O)c4ccccc4)[nH]c23)CC1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 18/20 0.58
DRD2 P14416 4/20 0.47
DRD3 P35462 4/20 0.47
HTR2A P28223 6/20 0.46
HTR1A P08908 4/20 0.46
HTR7 P34969 4/20 0.43
HTR2C P28335 4/20 0.43
HTR2B P41595 1/20 0.43
DRD4 P21917 2/20 0.43
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL5201506 0.89 HTR6 (0.47) HTR6DRD2DRD3HTR2AHTR1A
SCHEMBL5202025 0.86 HTR6 (0.67) HTR6DRD2DRD3HTR2AHTR1A
SCHEMBL14445203 0.84 HTR6 (0.55) HTR6DRD2DRD3HTR2AHTR1A
SCHEMBL5201187 0.81 HTR6 (0.53) HTR6DRD2HTR2AHTR1AHTR7
SCHEMBL5201209 0.81 HTR6 (0.78) HTR6DRD2DRD3HTR2AHTR1A
SCHEMBL4675283 0.81 HTR6 (0.76) HTR6DRD2DRD3HTR2AHTR1A
SCHEMBL5201291 0.79 HTR6 (0.48) HTR6DRD3HTR2AHTR2CHTR2B
SCHEMBL14395298 0.78 HTR6 (0.62) HTR6DRD2HTR2AHTR1AHTR7
SCHEMBL5202731 0.75 HTR6 (0.62) HTR6DRD2HTR2AHTR1AHTR7
SCHEMBL5203293 0.74 HTR6 (0.50) HTR6DRD2DRD3HTR2AHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1587788-B9 2,7-SUBSTITUTED INDOLES AND THEIR USE AS 5-HT6 MODULATORS HOFFMANN LA ROCHE (CH) 2007-10-24 EP claimed
US-7247651-B2 2,7-substituted indoles ROCHE PALO ALTO LLC (US) 2007-07-24 US claimed
EP-1587788-B1 2,7-SUBSTITUTED INDOLES AND THEIR USE AS 5-HT6 MODULATORS HOFFMANN LA ROCHE (CH) 2007-05-16 EP claimed
CN-1314669-C 2,7-substituted indoles and their use as 5-HT6 modulators HOFFMANN LA ROCHE (CH) 2007-05-09 CN claimed
EP-1587788-A1 2,7-SUBSTITUTED INDOLES AND THEIR USE AS 5-HT6 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-10-26 EP claimed
CN-1681782-A 2, 7-substituted indoles and their use as 5-HT 6 modulators HOFFMANN LA ROCHE (CH) 2005-10-12 CN claimed
WO-2004026830-A1 2,7-SUBSTITUTED INDOLES AND THEIR USE AS 5-HT6 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2004-04-01 WO claimed
EP-1587788-B9 2,7-SUBSTITUTED INDOLES AND THEIR USE AS 5-HT6 MODULATORS HOFFMANN LA ROCHE (CH) 2007-10-24 EP disclosed
EP-1587788-B9 2,7-SUBSTITUTED INDOLES AND THEIR USE AS 5-HT6 MODULATORS HOFFMANN LA ROCHE (CH) 2007-10-24 EP disclosed
US-7247651-B2 2,7-substituted indoles ROCHE PALO ALTO LLC (US) 2007-07-24 US disclosed
US-7247651-B2 2,7-substituted indoles ROCHE PALO ALTO LLC (US) 2007-07-24 US disclosed
US-7247651-B2 2,7-substituted indoles ROCHE PALO ALTO LLC (US) 2007-07-24 US disclosed
EP-1587788-B1 2,7-SUBSTITUTED INDOLES AND THEIR USE AS 5-HT6 MODULATORS HOFFMANN LA ROCHE (CH) 2007-05-16 EP disclosed
EP-1587788-B1 2,7-SUBSTITUTED INDOLES AND THEIR USE AS 5-HT6 MODULATORS HOFFMANN LA ROCHE (CH) 2007-05-16 EP disclosed
CN-1314669-C 2,7-substituted indoles and their use as 5-HT6 modulators HOFFMANN LA ROCHE (CH) 2007-05-09 CN disclosed
EP-1587788-A1 2,7-SUBSTITUTED INDOLES AND THEIR USE AS 5-HT6 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-10-26 EP disclosed
CN-1681782-A 2, 7-substituted indoles and their use as 5-HT 6 modulators HOFFMANN LA ROCHE (CH) 2005-10-12 CN disclosed
US-20040063724-A1 Neurotransmitter 5-hydroxytryptamine-6 (5-HT6) antagonists ROCHE PALO ALTO LLC 2004-04-01 US disclosed
WO-2004026830-A1 2,7-SUBSTITUTED INDOLES AND THEIR USE AS 5-HT6 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2004-04-01 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-20040063724-A1 Neurotransmitter 5-hydroxytryptamine-6 (5-HT6) antagonists HTR6, HTR5A, HTR1A HTR6 1/4885DRD2 59/4885DRD3 130/4885

“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.