SCHEMBL5698341

SCHEMBL5698341

CN1CCN(c2cccc3c2ccn3S(=O)(=O)c2ccc(F)cc2)CC1

nearest known ligand 0.80

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 20/20 0.80
DRD2 P14416 3/20 0.80
HTR1A P08908 1/20 0.80
HTR2A P28223 1/20 0.80
CYP3A4 P08684 2/20 0.73
CYP2D6 P10635 2/20 0.73
KCNH2 Q12809 1/20 0.55

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
SCHEMBL4309774 0.89 HTR6 (0.82) HTR6DRD2HTR1AHTR2ACYP3A4
SCHEMBL4675288 0.89 HTR6 (1.00) HTR6DRD2HTR1AHTR2ACYP3A4
Hydrochloric Acid SCHEMBL4309912 0.88 HTR6 (0.80) HTR6DRD2HTR1AHTR2ACYP3A4
Hydrochloric Acid SCHEMBL6518370 0.88 HTR6 (0.80) HTR6DRD2HTR1AHTR2ACYP3A4
SCHEMBL4321340 0.86 HTR6 (0.80) HTR6DRD2HTR1AHTR2ACYP3A4
SCHEMBL4310106 0.85 HTR6 (0.91) HTR6DRD2HTR1AHTR2ACYP3A4
Hydrochloric Acid SCHEMBL4314129 0.85 HTR6 (0.78) HTR6DRD2HTR1AHTR2ACYP3A4
SCHEMBL5353003 0.84 HTR6 (1.00) HTR6DRD2HTR1AHTR2ACYP3A4
Hydrochloric Acid SCHEMBL6518729 0.84 HTR6 (0.89) HTR6DRD2HTR1AHTR2ACYP3A4
SCHEMBL5698338 0.82 HTR6 (0.86) HTR6DRD2HTR1AHTR2A

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1321110-C 4-piperazinyl indole derivatives having 5-HT6 receptor affinity HOFFMANN LA ROCHE CO LTD (CH) 2007-06-13 CN claimed
EP-1401812-B1 4-PIPERAZINYLINDOLE DERIVATIVES WITH 5-HT6 RECEPTOR AFFINITY HOFFMANN LA ROCHE (CH) 2006-06-28 EP claimed
CN-1694866-A 4-piperazinylindole derivatives with 5-HT6 receptor affinity HOFFMANN LA ROCHE (CH) 2005-11-09 CN claimed
US-20030045527-A1 4-piperazinylindole derivatives with 5-HT6 receptor affinity SYNTEX (U.S.A.) LLC 2003-03-06 US claimed
CN-1321110-C 4-piperazinyl indole derivatives having 5-HT6 receptor affinity HOFFMANN LA ROCHE CO LTD (CH) 2007-06-13 CN disclosed
EP-1401812-B1 4-PIPERAZINYLINDOLE DERIVATIVES WITH 5-HT6 RECEPTOR AFFINITY HOFFMANN LA ROCHE (CH) 2006-06-28 EP disclosed
CN-1694866-A 4-piperazinylindole derivatives with 5-HT6 receptor affinity HOFFMANN LA ROCHE (CH) 2005-11-09 CN 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 1/4885DRD2 35/4885HTR1A 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.