SCHEMBL5202316

SCHEMBL5202316

Cn1cc(S(=O)(=O)c2ccccn2)c2cc(N3CCNCC3)ccc21

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 19/20 0.51
HTR2B P41595 5/20 0.49
DRD2 P14416 4/20 0.49
HTR2C P28335 4/20 0.49
HTR1A P08908 2/20 0.49
HTR1D P28221 1/20 0.49
HTR1B P28222 1/20 0.49
KHK P50053 1/20 0.45
CYP3A4 P08684 1/20 0.44
HTR7 P34969 1/20 0.42

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
SCHEMBL1136468 0.84 HTR6 (0.64) HTR6HTR2BDRD2HTR2CHTR1A
SCHEMBL5203209 0.81 HTR6 (0.57) HTR6HTR2BDRD2HTR2CHTR1A
SCHEMBL5201144 0.78 HTR6 (0.62) HTR6DRD2HTR2CHTR1AHTR1D
SCHEMBL5202829 0.78 HTR6 (0.57) HTR6CYP3A4
SCHEMBL5200370 0.78 HTR6 (0.53) HTR6HTR2BDRD2HTR2CHTR1A
SCHEMBL1136427 0.77 HTR6 (0.51) HTR6HTR2BDRD2HTR2CHTR1A
SCHEMBL5200846 0.77 HTR6 (0.67) HTR6HTR2BDRD2HTR2CHTR1A
SCHEMBL5971931 0.77 HTR6 (0.59) HTR6CYP3A4
SCHEMBL5200506 0.77 PIM1 (0.47) HTR6HTR2BDRD2HTR2CHTR1A
SCHEMBL5201309 0.75 HTR1D (0.51) HTR6HTR2BDRD2HTR2CHTR1A

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 7 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 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 1/4885HTR2B 15/4885DRD2 39/4885
US-20050171118-A1 New indole derivatives with 5-HT6 receptor affinity HTR6, HTR5A, HTR7 HTR6 1/4885HTR2B 11/4885DRD2 35/4885
US-20030073700-A1 New indole derivatives with 5HT6 receptor affinity HTR6, HTR5A, HTR7 HTR6 1/4885HTR2B 13/4885DRD2 36/4885

“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.