SCHEMBL5202246

SCHEMBL5202246

Cn1cc(S(=O)(=O)c2ccc(F)cc2)c2cccc(N3CCNCC3)c21

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 19/20 0.70
CYP3A4 P08684 2/20 0.42
HTR7 P34969 1/20 0.41
CYP2D6 P10635 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
SCHEMBL5200537 0.90 HTR6 (0.78) HTR6CYP3A4HTR7
SCHEMBL6588526 0.89 HTR6 (0.77) HTR6
Hydrochloric Acid SCHEMBL5201323 0.89 HTR6 (0.77) HTR6CYP3A4HTR7
SCHEMBL6701114 0.84 HTR6 (0.64) HTR6HTR7CYP2D6
SCHEMBL5201051 0.83 HTR6 (1.00) HTR6
SCHEMBL5201171 0.82 HTR6 (0.73) HTR6CYP3A4
Hydrochloric Acid SCHEMBL6588564 0.82 HTR6 (0.98) HTR6
SCHEMBL5201172 0.80 HTR6 (0.70) HTR6CYP3A4HTR7CYP2D6
SCHEMBL5202891 0.80 HTR6 (0.61) HTR6HTR7CYP2D6
SCHEMBL5201144 0.78 HTR6 (0.62) HTR6CYP3A4HTR7CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1401813-B1 NEW INDOLE DERIVATIVES WITH 5-HT6 RECEPTOR AFFINITY HOFFMANN LA ROCHE (CH) 2007-02-07 EP 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-1401813-B1 NEW INDOLE DERIVATIVES WITH 5-HT6 RECEPTOR AFFINITY HOFFMANN LA ROCHE (CH) 2007-02-07 EP 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
EP-1401813-A1 NEW INDOLE DERIVATIVES WITH 5-HT6 RECEPTOR AFFINITY F. Hoffman-la Roche AG (CH) 2004-03-31 EP 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
WO-2002098857-A1 NEW INDOLE DERIVATIVES WITH 5-HT6 RECEPTOR AFFINITY F. HOFFMANN-LA ROCHE AG (CH) 2002-12-12 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 (3 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-20040248902-A1 New indole derivatives with 5-HT6 receptor affinity HTR6, HTR5A, HTR7 HTR6 1/4885CYP3A4 360/4885HTR7 3/4885
US-20050171118-A1 New indole derivatives with 5-HT6 receptor affinity HTR6, HTR5A, HTR7 HTR6 1/4885CYP3A4 400/4885HTR7 3/4885
US-20030073700-A1 New indole derivatives with 5HT6 receptor affinity HTR6, HTR5A, HTR7 HTR6 1/4885CYP3A4 379/4885HTR7 3/4885

“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.