SCHEMBL5201172

SCHEMBL5201172

Cn1cc(S(=O)(=O)c2ccccc2Cl)c2cccc(N3CCNCC3)c21

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 16/20 0.70
ADRB1 P08588 2/20 0.48
DRD2 P14416 1/20 0.45
DRD3 P35462 1/20 0.45
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
NFKB1 P19838 2/20 0.42
MEN1 O00255 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
MYLK Q15746 1/20 0.42
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
HTR1A P08908 1/20 0.42
NCF1 P14598 1/20 0.42
TSHR P16473 1/20 0.42
HTR1D P28221 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
SCHEMBL6701114 0.87 HTR6 (0.64) HTR6CYP1A2CYP2D6NFKB1HTR3E
SCHEMBL5200537 0.85 HTR6 (0.78) HTR6DRD2CYP3A4HTR1AHTR2A
Hydrochloric Acid SCHEMBL5201323 0.84 HTR6 (0.77) HTR6DRD2CYP3A4HTR1AHTR2A
SCHEMBL5202891 0.84 HTR6 (0.61) HTR6CYP1A2CYP2D6NFKB1MEN1
SCHEMBL6589771 0.84 HTR6 (0.61) HTR6CYP1A2CYP2D6NFKB1HTR3E
SCHEMBL5201051 0.83 HTR6 (1.00) HTR6
Hydrochloric Acid SCHEMBL6588564 0.82 HTR6 (0.98) HTR6
SCHEMBL5201144 0.81 HTR6 (0.62) HTR6DRD2CYP1A2CYP2D6NFKB1
SCHEMBL5202246 0.80 HTR6 (0.70) HTR6CYP2D6CYP3A4HTR7
SCHEMBL6588526 0.78 HTR6 (0.77) HTR6

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 12 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-20040242589-A1 3-arylsulfonyl-7-piperzinyl-indoles-benzofurans and -benzothiophenes with 5-ht6 receptor affinity for treating cns disorders SMITHKLINE BEECHAM PLC (GB) 2004-12-02 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-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-20040242589-A1 3-arylsulfonyl-7-piperzinyl-indoles-benzofurans and -benzothiophenes with 5-ht6 receptor affinity for treating cns disorders SMITHKLINE BEECHAM PLC (GB) 2004-12-02 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-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 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-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 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-20040242589-A1 3-arylsulfonyl-7-piperzinyl-indoles-benzofurans and -benzothiophenes with 5-ht6 receptor affinity for treating cns disorders HTR6, HTR7, HTR1A HTR6 1/4885ADRB1 247/4885DRD2 61/4885
US-20040248902-A1 New indole derivatives with 5-HT6 receptor affinity HTR6, HTR5A, HTR7 HTR6 1/4885ADRB1 51/4885DRD2 39/4885
US-20050171118-A1 New indole derivatives with 5-HT6 receptor affinity HTR6, HTR5A, HTR7 HTR6 1/4885ADRB1 58/4885DRD2 35/4885
US-20030073700-A1 New indole derivatives with 5HT6 receptor affinity HTR6, HTR5A, HTR7 HTR6 1/4885ADRB1 41/4885DRD2 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.