SCHEMBL5200831

SCHEMBL5200831

CN1CCN(c2ccc3[nH]cc(S(=O)(=O)c4ccccc4)c3c2)CC1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 18/20 0.60
DRD2 P14416 4/20 0.58
HTR7 P34969 2/20 0.58
HTR2B P41595 2/20 0.58
HTR2C P28335 1/20 0.58
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
KIF11 P52732 1/20 0.47
DRD3 P35462 2/20 0.47
HTR1A P08908 1/20 0.46

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
SCHEMBL5201164 0.87 HTR6 (0.62) HTR6HDAC3HDAC4HDAC1HDAC7
SCHEMBL27506890 0.86 HDAC3 (0.52) HTR6DRD2HTR7HTR2BHTR2C
Hydrochloric Acid SCHEMBL5205751 0.86 HTR6 (0.63) HTR6HDAC3HDAC4HDAC1HDAC7
SCHEMBL5972123 0.85 HTR6 (0.59) HTR6DRD2HTR7HTR2BHTR2C
SCHEMBL5971939 0.84 HTR6 (0.47) HTR6DRD2HTR7HTR2BHTR2C
SCHEMBL5201083 0.82 PIK3CA (0.52) HTR6HDAC3HDAC4HDAC1HDAC7
SCHEMBL4480373 0.81 HTR6 (0.56) HTR6DRD2HTR7HTR2BHTR2C
SCHEMBL5972080 0.78 HTR6 (0.52) HTR6DRD2HTR7HTR2BHTR2C
SCHEMBL4480306 0.78 HTR6 (0.51) HTR6DRD2HTR7HTR2BHTR2C
SCHEMBL3948910 0.78 HTR6 (0.67) HTR6DRD2HTR7HTR2BHTR2C

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 9 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
CN-1257892-C New indole derivatives with 5-HT6 receptor affinity HOFFMANN LA ROCHE (CH) 2006-05-31 CN 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
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
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 1/4885DRD2 39/4885HTR7 3/4885
US-20050171118-A1 New indole derivatives with 5-HT6 receptor affinity HTR6, HTR5A, HTR7 HTR6 1/4885DRD2 35/4885HTR7 3/4885
US-20030073700-A1 New indole derivatives with 5HT6 receptor affinity HTR6, HTR5A, HTR7 HTR6 1/4885DRD2 36/4885HTR7 3/4885

“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.