SCHEMBL5202275

SCHEMBL5202275

O=S(=O)(c1ccccc1)n1ccc2cccc(C3CCNCC3)c21

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 19/20 0.57
DRD3 P35462 3/20 0.57
DRD2 P14416 1/20 0.52
CYP3A4 P08684 1/20 0.48
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP2C19 P33261 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
SCHEMBL5201804 0.84 HTR6 (0.56) HTR6DRD3DRD2CYP3A4MEN1
SCHEMBL27526628 0.82 HTR6 (0.44) HTR6DRD3DRD2MEN1ALDH1A1
SCHEMBL4680178 0.80 HTR6 (0.73) HTR6DRD3DRD2
SCHEMBL5241270 0.80 HTR6 (0.51) HTR6DRD3DRD2CYP3A4MEN1
Hydrochloric Acid SCHEMBL5244505 0.79 HTR6 (0.50) HTR6DRD3DRD2CYP3A4MEN1
SCHEMBL5202033 0.76 HTR6 (0.66) HTR6DRD3DRD2CYP3A4CYP2C19
SCHEMBL5203683 0.75 HTR6 (0.51) HTR6
Hydrochloric Acid SCHEMBL5201694 0.75 HTR6 (0.65) HTR6DRD3DRD2CYP3A4CYP2C19
SCHEMBL30184484 0.72 HTR6 (0.60) HTR6DRD3CYP3A4MEN1ALDH1A1
SCHEMBL20742938 0.72 HTR6 (0.60) HTR6DRD3CYP3A4MEN1ALDH1A1

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 24 patents — showing the first 20. 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
EP-1587788-B1 2,7-SUBSTITUTED INDOLES AND THEIR USE AS 5-HT6 MODULATORS HOFFMANN LA ROCHE (CH) 2007-05-16 EP claimed
EP-1401813-B1 NEW INDOLE DERIVATIVES WITH 5-HT6 RECEPTOR AFFINITY HOFFMANN LA ROCHE (CH) 2007-02-07 EP claimed
CN-1257892-C New indole derivatives with 5-HT6 receptor affinity HOFFMANN LA ROCHE (CH) 2006-05-31 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
CN-1527816-A Novel indole derivatives having 5-HT 6 receptor affinity - 2004-09-08 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
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-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
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-1401813-B1 NEW INDOLE DERIVATIVES WITH 5-HT6 RECEPTOR AFFINITY HOFFMANN LA ROCHE (CH) 2007-02-07 EP disclosed
US-20040248902-A1 New indole derivatives with 5-HT6 receptor affinity BEARD COLIN CHARLES (US) 2004-12-09 US disclosed
CN-1527816-A Novel indole derivatives having 5-HT 6 receptor affinity - 2004-09-08 CN 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-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
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 (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-20040063724-A1 Neurotransmitter 5-hydroxytryptamine-6 (5-HT6) antagonists HTR6, HTR5A, HTR1A HTR6 1/4885DRD3 130/4885DRD2 59/4885
US-20040248902-A1 New indole derivatives with 5-HT6 receptor affinity HTR6, HTR5A, HTR7 HTR6 1/4885DRD3 47/4885DRD2 39/4885
US-20030073700-A1 New indole derivatives with 5HT6 receptor affinity HTR6, HTR5A, HTR7 HTR6 1/4885DRD3 56/4885DRD2 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.