Sugi Predict

Sugi Predict / Compounds / SCHEMBL5202033

SCHEMBL5202033

SCHEMBL5202033

O=S(=O)(c1ccccc1)n1ccc2cccc(N3CCNCC3)c21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 20/20 0.66
▸ DRD3 P35462 2/20 0.53
▸ HTR1A P08908 4/20 0.51
▸ DRD2 P14416 4/20 0.51
▸ HTR2A P28223 4/20 0.51
▸ HTR7 P34969 4/20 0.51
▸ CYP1A2 P05177 1/20 0.50
▸ ADRB1 P08588 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ ADRA2A P08913 1/20 0.50
▸ CHRM1 P11229 1/20 0.50
▸ ADRA2B P18089 1/20 0.50
▸ SLC6A2 P23975 1/20 0.50
▸ HTR1B P28222 1/20 0.50
▸ HTR2C P28335 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ HRH1 P35367 1/20 0.50
▸ OPRM1 P35372 1/20 0.50
▸ OPRK1 P41145 1/20 0.50
▸ HTR2B P41595 1/20 0.50

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
Hydrochloric Acid SCHEMBL5201694 0.99 HTR6 (0.65) HTR6DRD3HTR1ADRD2HTR2A
SCHEMBL6585144 0.89 HTR6 (0.60) HTR6DRD3HTR1ADRD2HTR2A
SCHEMBL5201773 0.85 HTR6 (0.66) HTR6DRD3HTR1ADRD2HTR2A
SCHEMBL27506464 0.82 HTR6 (0.56) HTR6DRD3HTR1ADRD2HTR2A
SCHEMBL5200861 0.81 HTR6 (0.58) HTR6DRD3HTR1ADRD2HTR2A
SCHEMBL6584477 0.80 HTR6 (0.49) HTR6HTR1AHTR2AHTR7CYP1A2
SCHEMBL5203339 0.80 HTR6 (0.59) HTR6DRD3HTR1ADRD2HTR2A
SCHEMBL1136504 0.80 HTR6 (1.00) HTR6HTR1ADRD2HTR2A
SCHEMBL6786913 0.79 HTR6 (0.52) HTR6HTR1ADRD2HTR2A
Hydrochloric Acid SCHEMBL4316248 0.79 HTR6 (0.97) HTR6HTR1ADRD2HTR2A

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 22 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
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
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
EP-1414442-A1 3-ARYLSULFONYL-7-PIPERAZINYL- INDOLES, -BENZOFURANS AND -BENZOTHIOPHENES WITH 5-HT6 RECEPTOR AFFINITY FOR TREATING CNS DISORDERS SMITHKLINE BEECHAM PLC (GB) 2004-05-06 — — EP 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
WO-2003013510-A1 3-ARYLSULFONYL-7-PIPERAZINYL- INDOLES, -BENZOFURANS AND -BENZOTHIOPHENES WITH 5-HT6 RECEPTOR AFFINITY FOR TREATING CNS DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2003-02-20 — — WO 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
EP-1401813-B1 NEW INDOLE DERIVATIVES WITH 5-HT6 RECEPTOR AFFINITY HOFFMANN LA ROCHE (CH) 2007-02-07 — — EP disclosed
EP-1587788-A1 2,7-SUBSTITUTED INDOLES AND THEIR USE AS 5-HT6 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-10-26 — — EP 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
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 (2 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 130/4885HTR1A 3/4885
US-20030073700-A1 New indole derivatives with 5HT6 receptor affinity HTR6, HTR5A, HTR7 HTR6 1/4885DRD3 56/4885HTR1A 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.