SCHEMBL5202891

SCHEMBL5202891

Cn1cc(S(=O)(=O)c2ccccc2C(F)(F)F)c2cccc(N3CCNCC3)c21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 15/20 0.61
NCF1 P14598 2/20 0.47
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
CYP1A2 P05177 1/20 0.40
HTR1A P08908 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
HTR2A P28223 1/20 0.40
HTR7 P34969 1/20 0.40
MTOR P42345 1/20 0.40
HTR3A P46098 1/20 0.40
HTR5A P47898 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SIGMAR1 Q99720 1/20 0.40

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 0.86 HTR6 (0.64) HTR6NCF1HTR3EHTR3BCYP1A2
SCHEMBL5201172 0.84 HTR6 (0.70) HTR6NCF1HTR3EHTR3BCYP1A2
SCHEMBL5200537 0.82 HTR6 (0.78) HTR6HTR1AHTR2AHTR7
SCHEMBL5201171 0.82 HTR6 (0.73) HTR6HTR3EHTR3BHTR1DHTR3A
Hydrochloric Acid SCHEMBL5201323 0.81 HTR6 (0.77) HTR6HTR1AHTR2AHTR7KDM4E
SCHEMBL6589771 0.81 HTR6 (0.61) HTR6NCF1HTR3EHTR3BCYP1A2
SCHEMBL5202246 0.80 HTR6 (0.70) HTR6CYP2D6HTR7
SCHEMBL5200417 0.79 HTR6 (0.60) HTR6NCF1HTR3EHTR3BCYP1A2
SCHEMBL6586526 0.78 HTR6 (0.43) HTR6NCF1HTR3EHTR3BCYP1A2
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 14 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
EP-1401813-A1 NEW INDOLE DERIVATIVES WITH 5-HT6 RECEPTOR AFFINITY F. Hoffman-la Roche AG (CH) 2004-03-31 EP 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-2002098857-A1 NEW INDOLE DERIVATIVES WITH 5-HT6 RECEPTOR AFFINITY F. HOFFMANN-LA ROCHE AG (CH) 2002-12-12 WO 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-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 (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 1/4885NCF1 3039/4885HTR3E 18/4885
US-20040248902-A1 New indole derivatives with 5-HT6 receptor affinity HTR6, HTR5A, HTR7 HTR6 1/4885NCF1 2489/4885HTR3E 18/4885
US-20050171118-A1 New indole derivatives with 5-HT6 receptor affinity HTR6, HTR5A, HTR7 HTR6 1/4885NCF1 2748/4885HTR3E 19/4885
US-20030073700-A1 New indole derivatives with 5HT6 receptor affinity HTR6, HTR5A, HTR7 HTR6 1/4885NCF1 2722/4885HTR3E 18/4885

“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.