SCHEMBL5698356

SCHEMBL5698356

COc1cccc(S(=O)(=O)n2ccc3c(N4CCNCC4)cccc32)c1

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 19/20 0.72
▸ CYP3A4 P08684 1/20 0.59
▸ HTR1A P08908 2/20 0.56
▸ DRD2 P14416 2/20 0.56
▸ HTR2A P28223 2/20 0.56
▸ HTR7 P34969 1/20 0.56
▸ HTR2C P28335 1/20 0.55
▸ MET P08581 1/20 0.53

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
SCHEMBL1537874 0.89 HTR6 (0.75) HTR6HTR1ADRD2HTR2AHTR2C
Hydrochloric Acid SCHEMBL4309916 0.88 HTR6 (0.73) HTR6HTR1ADRD2HTR2AHTR2C
SCHEMBL1537812 0.86 HTR6 (0.74) HTR6
SCHEMBL15655470 0.86 HTR6 (0.77) HTR6HTR1ADRD2HTR2AHTR7
SCHEMBL5698346 0.86 HTR6 (0.77) HTR6HTR1ADRD2HTR2A
Hydrochloric Acid SCHEMBL4312376 0.85 HTR6 (0.72) HTR6
SCHEMBL4322677 0.85 HTR6 (0.60) HTR6
SCHEMBL1136504 0.84 HTR6 (1.00) HTR6HTR1ADRD2HTR2A
SCHEMBL5698316 0.84 HTR6 (0.73) HTR6HTR1ADRD2HTR2A
Hydrochloric Acid SCHEMBL4312546 0.84 HTR6 (0.59) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030045527-A1 4-piperazinylindole derivatives with 5-HT6 receptor affinity SYNTEX (U.S.A.) LLC 2003-03-06 — — US claimed
EP-1401812-B1 4-PIPERAZINYLINDOLE DERIVATIVES WITH 5-HT6 RECEPTOR AFFINITY HOFFMANN LA ROCHE (CH) 2006-06-28 — — EP disclosed
US-6790848-B2 TREATING CENTRAL NERVOUS SYSTEM OR GASTROINTESTINAL DISORDERS SYNTEX (U.S.A.) LLC 2004-09-14 — — US disclosed
EP-1401812-A1 4-PIPERAZINYLINDOLE DERIVATIVES WITH 5-HT6 RECEPTOR AFFINITY F. HOFFMANN-LA ROCHE AG (CH) 2004-03-31 — — EP disclosed
US-20030045527-A1 4-piperazinylindole derivatives with 5-HT6 receptor affinity SYNTEX (U.S.A.) LLC 2003-03-06 — — US disclosed
WO-2002102774-A1 4-PIPERAZINYLINDOLE DERIVATIVES WITH 5-HT6 RECEPTOR AFFINITY F. HOFFMANN-LA ROCHE AG (CH) 2002-12-27 — — 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 (1 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-20030045527-A1 4-piperazinylindole derivatives with 5-HT6 receptor affinity HTR6, HTR5A, HTR3A HTR6 1/4885CYP3A4 261/4885HTR1A 6/4885

“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.

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