SCHEMBL1136468

SCHEMBL1136468

Cn1cc(S(=O)(=O)c2ccccc2)c2cc(N3CCNCC3)ccc21

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 19/20 0.64
CYP3A4 P08684 1/20 0.63
HTR1A P08908 1/20 0.51
DRD2 P14416 1/20 0.51
HTR1D P28221 1/20 0.51
HTR1B P28222 1/20 0.51
HTR2C P28335 1/20 0.51
HTR2B P41595 1/20 0.51
POLB P06746 1/20 0.49

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
SCHEMBL5202829 0.89 HTR6 (0.57) HTR6CYP3A4
SCHEMBL5200846 0.88 HTR6 (0.67) HTR6CYP3A4HTR1ADRD2HTR1D
SCHEMBL5200370 0.86 HTR6 (0.53) HTR6CYP3A4HTR1ADRD2HTR1D
SCHEMBL5971931 0.86 HTR6 (0.59) HTR6CYP3A4
SCHEMBL5202135 0.85 HTR6 (0.58) HTR6CYP3A4DRD2HTR2CHTR2B
SCHEMBL5203209 0.85 HTR6 (0.57) HTR6CYP3A4HTR1ADRD2HTR1D
SCHEMBL5201309 0.85 HTR1D (0.51) HTR6CYP3A4HTR1ADRD2HTR1D
SCHEMBL5971994 0.84 HTR6 (0.50) HTR6CYP3A4
SCHEMBL5202316 0.84 HTR6 (0.51) HTR6CYP3A4HTR1ADRD2HTR1D
SCHEMBL28920482 0.84 HTR6 (0.61) HTR6CYP3A4HTR1AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1799306-B1 COMPOSITIONS AND METHODS FOR TREATING COGNITIVE DISORDERS HOFFMANN LA ROCHE (CH) 2011-02-23 EP claimed
EP-1401813-B1 NEW INDOLE DERIVATIVES WITH 5-HT6 RECEPTOR AFFINITY HOFFMANN LA ROCHE (CH) 2007-02-07 EP claimed
US-20060069094-A1 Compositions and methods for treating cognitive disorders ROCHE PALO ALTO LLC 2006-03-30 US claimed
US-6787535-B2 CENTRAL NERVOUS SYSTEM DISORDERS; PARKINSON'S DISEASE, HUNTINGTON'S DISEASE; PSYCOLOGICAL DISORDERS SYNTEX (U.S.A.) LLC 2004-09-07 US claimed
US-20030073700-A1 New indole derivatives with 5HT6 receptor affinity SYNTEX (U.S.A.) LLC, NAME CHANGE TO ROCHE PALO ALTO LLC 2003-04-17 US claimed
EP-2301625-A2 Compositions and methods for treating cognitive disorders F. Hoffmann-La Roche AG (CH) 2011-03-30 EP disclosed
EP-1799306-B1 COMPOSITIONS AND METHODS FOR TREATING COGNITIVE DISORDERS HOFFMANN LA ROCHE (CH) 2011-02-23 EP disclosed
US-7713954-B2 Compositions and methods for treating cognitive disorders ROCHE PALO ALTO LLC (US) 2010-05-11 US disclosed
EP-1401813-B1 NEW INDOLE DERIVATIVES WITH 5-HT6 RECEPTOR AFFINITY HOFFMANN LA ROCHE (CH) 2007-02-07 EP disclosed
US-20060069094-A1 Compositions and methods for treating cognitive disorders ROCHE PALO ALTO LLC 2006-03-30 US disclosed
US-20050171118-A1 New indole derivatives with 5-HT6 receptor affinity BEARD COLIN C (US) 2005-08-04 US disclosed
US-20040248902-A1 New indole derivatives with 5-HT6 receptor affinity BEARD COLIN CHARLES (US) 2004-12-09 US disclosed
US-6787535-B2 CENTRAL NERVOUS SYSTEM DISORDERS; PARKINSON'S DISEASE, HUNTINGTON'S DISEASE; PSYCOLOGICAL DISORDERS SYNTEX (U.S.A.) LLC 2004-09-07 US disclosed
US-20030073700-A1 New indole derivatives with 5HT6 receptor affinity SYNTEX (U.S.A.) LLC, NAME CHANGE TO ROCHE PALO ALTO LLC 2003-04-17 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 (4 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-20060069094-A1 Compositions and methods for treating cognitive disorders HTR6, HTR2A, HTR2C HTR6 1/4885CYP3A4 3460/4885HTR1A 5/4885
US-20040248902-A1 New indole derivatives with 5-HT6 receptor affinity HTR6, HTR5A, HTR7 HTR6 1/4885CYP3A4 360/4885HTR1A 4/4885
US-20050171118-A1 New indole derivatives with 5-HT6 receptor affinity HTR6, HTR5A, HTR7 HTR6 1/4885CYP3A4 400/4885HTR1A 4/4885
US-20030073700-A1 New indole derivatives with 5HT6 receptor affinity HTR6, HTR5A, HTR7 HTR6 1/4885CYP3A4 379/4885HTR1A 4/4885

“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.