SCHEMBL5203683

SCHEMBL5203683

CC(C)(C)OC(=O)N1CCC(c2cccc3ccn(S(=O)(=O)c4ccccc4)c23)CC1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.51
TGFBR1 P36897 6/20 0.47
GPR119 Q8TDV5 5/20 0.46
BCHE P06276 1/20 0.44
STS P08842 3/20 0.44
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44
POLB P06746 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
SCHEMBL27526628 0.85 HTR6 (0.44) HTR6
SCHEMBL5244802 0.85 HTR6 (0.54) HTR6TGFBR1GPR119BCHESTS
SCHEMBL5202415 0.83 HTR6 (0.52) HTR6TGFBR1GPR119BCHE
SCHEMBL14445218 0.81 GPR119 (0.47) GPR119STSKDM4EPKMPOLB
SCHEMBL14395513 0.81 GPR119 (0.46) GPR119STSKDM4EPKMPOLB
SCHEMBL26099409 0.81 GPR119 (0.46) GPR119STSKDM4EPOLB
SCHEMBL25032332 0.79 HTR6 (0.48) HTR6TGFBR1GPR119BCHESTS
SCHEMBL14395516 0.79 TGFBR1 (0.48) TGFBR1GPR119STS
SCHEMBL31270546 0.79 HTR6 (0.48) HTR6TGFBR1GPR119BCHESTS
SCHEMBL5705187 0.78 HTR6 (0.60) HTR6TGFBR1GPR119BCHE

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 7 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
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-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 1/4885TGFBR1 1846/4885GPR119 104/4885
US-20050171118-A1 New indole derivatives with 5-HT6 receptor affinity HTR6, HTR5A, HTR7 HTR6 1/4885TGFBR1 1552/4885GPR119 59/4885
US-20030073700-A1 New indole derivatives with 5HT6 receptor affinity HTR6, HTR5A, HTR7 HTR6 1/4885TGFBR1 1474/4885GPR119 88/4885

“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.