SCHEMBL4675288

SCHEMBL4675288

CN1CCN(c2cccc3c2ccn3S(=O)(=O)c2ccccc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 20/20 1.00
DRD2 P14416 3/20 1.00
HTR1A P08908 1/20 1.00
HTR2A P28223 1/20 1.00
CYP3A4 P08684 1/20 0.65
CYP2D6 P10635 1/20 0.65

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
SCHEMBL4310106 0.95 HTR6 (0.91) HTR6DRD2HTR1AHTR2ACYP3A4
Hydrochloric Acid SCHEMBL6518729 0.94 HTR6 (0.89) HTR6DRD2HTR1AHTR2ACYP3A4
SCHEMBL4309774 0.90 HTR6 (0.82) HTR6DRD2HTR1AHTR2ACYP3A4
SCHEMBL5698341 0.89 HTR6 (0.80) HTR6DRD2HTR1AHTR2ACYP3A4
Hydrochloric Acid SCHEMBL4309912 0.89 HTR6 (0.80) HTR6DRD2HTR1AHTR2ACYP3A4
Hydrochloric Acid SCHEMBL6518370 0.89 HTR6 (0.80) HTR6DRD2HTR1AHTR2ACYP3A4
SCHEMBL4312562 0.86 HTR6 (0.77) HTR6DRD2HTR1AHTR2A
Hydrochloric Acid SCHEMBL6514255 0.85 HTR6 (0.76) HTR6DRD2HTR1AHTR2A
SCHEMBL27513834 0.85 HTR6 (0.83) HTR6DRD2HTR1AHTR2A
SCHEMBL1136504 0.85 HTR6 (1.00) HTR6DRD2HTR1AHTR2A

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
EP-1542973-B1 2,4-SUBSTITUTED INDOLES AND THEIR USE AS 5-HT6 MODULATORS HOFFMANN LA ROCHE (CH) 2008-07-30 EP claimed
CN-1301970-C 2, 4-substituted indoles and their use as 5-HT 6 modulators HOFFMANN LA ROCHE (CH) 2007-02-28 CN claimed
CN-1681783-A 2, 4-substituted indoles and their use as 5-HT 6 modulators HOFFMANN LA ROCHE (CH) 2005-10-12 CN claimed
EP-1542973-A1 2,4-SUBSTITUTED INDOLES AND THEIR USE AS 5-HT6 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-06-22 EP claimed
WO-2004026831-A1 2,4-SUBSTITUTED INDOLES AND THEIR USE AS 5-HT6 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2004-04-01 WO claimed
US-7524839-B2 Compounds, their use and preparation BIOVITRUM AM (PUBL.) 2009-04-28 US disclosed
EP-1542973-B1 2,4-SUBSTITUTED INDOLES AND THEIR USE AS 5-HT6 MODULATORS HOFFMANN LA ROCHE (CH) 2008-07-30 EP disclosed
US-7381739-B2 Antiserotonine agents; central nervous system disorders; Alzheimer's disease; Parkinson's disease; Huntington's disease; sleep disorders ROCHE PALO ALTO LLC (US) 2008-06-03 US disclosed
CN-1301970-C 2, 4-substituted indoles and their use as 5-HT 6 modulators HOFFMANN LA ROCHE (CH) 2007-02-28 CN disclosed
CN-1681783-A 2, 4-substituted indoles and their use as 5-HT 6 modulators HOFFMANN LA ROCHE (CH) 2005-10-12 CN disclosed
EP-1542973-A1 2,4-SUBSTITUTED INDOLES AND THEIR USE AS 5-HT6 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-06-22 EP disclosed
US-20040072844-A1 2,4-Substituted indoles and methods of use ROCHE PALO ALTO LLC 2004-04-15 US disclosed
WO-2004026831-A1 2,4-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-20040072844-A1 2,4-Substituted indoles and methods of use IDO1, IDO2, CYP4B1 HTR6 130/4885DRD2 244/4885HTR1A 49/4885

“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.