SCHEMBL1136428

SCHEMBL1136428

O=S(=O)(c1ccccc1F)n1ccc2c(N3CCNCC3)cccc21

nearest known ligand 0.76

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 19/20 0.76
HTR1A P08908 1/20 0.52
DRD2 P14416 1/20 0.52
HTR2A P28223 1/20 0.52
HTR2C P28335 1/20 0.52

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
SCHEMBL5698353 0.88 HTR6 (0.70) HTR6HTR1ADRD2HTR2A
SCHEMBL4317353 0.88 HTR6 (0.65) HTR6HTR1ADRD2HTR2A
Hydrochloric Acid SCHEMBL4309981 0.87 HTR6 (0.77) HTR6HTR1ADRD2HTR2A
Hydrochloric Acid SCHEMBL4316154 0.87 HTR6 (0.64) HTR6HTR1ADRD2HTR2A
SCHEMBL4313475 0.86 HTR6 (0.76) HTR6HTR1ADRD2HTR2AHTR2C
SCHEMBL5698325 0.86 HTR6 (0.76) HTR6HTR1ADRD2HTR2A
SCHEMBL1537823 0.86 HTR6 (0.76) HTR6HTR1ADRD2HTR2A
SCHEMBL1136474 0.86 HTR6 (0.76) HTR6HTR1ADRD2HTR2A
SCHEMBL4306547 0.85 HTR6 (0.71) HTR6HTR1ADRD2HTR2A
Hydrochloric Acid SCHEMBL4319125 0.85 HTR6 (0.74) HTR6HTR1ADRD2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1799306-B1 COMPOSITIONS AND METHODS FOR TREATING COGNITIVE DISORDERS HOFFMANN LA ROCHE (CH) 2011-02-23 EP claimed
EP-1799306-A2 COMPOSITIONS AND METHODS FOR TREATING COGNITIVE DISORDERS F. Hoffmann-Roche AG (CH) 2007-06-27 EP claimed
WO-2006037482-A2 COMPOSITIONS AND METHODS FOR TREATING COGNITIVE DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2006-04-13 WO claimed
US-20060069094-A1 Compositions and methods for treating cognitive disorders ROCHE PALO ALTO LLC 2006-03-30 US claimed
EP-1401812-A1 4-PIPERAZINYLINDOLE DERIVATIVES WITH 5-HT6 RECEPTOR AFFINITY F. HOFFMANN-LA ROCHE AG (CH) 2004-03-31 EP claimed
US-20030045527-A1 4-piperazinylindole derivatives with 5-HT6 receptor affinity SYNTEX (U.S.A.) LLC 2003-03-06 US claimed
WO-2002102774-A1 4-PIPERAZINYLINDOLE DERIVATIVES WITH 5-HT6 RECEPTOR AFFINITY F. HOFFMANN-LA ROCHE AG (CH) 2002-12-27 WO claimed
US-20140121216-A1 INDOLEAMINE DERIVATIVES FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES ADAMED SP. Z O.O. (PL) 2014-05-01 US disclosed
WO-2011088836-A1 NOVEL 4-(ARYL-4-SULFONYL)-6,6a,7,8,9,10-HEXAHYDRO-4H-4,8,10a-TRIAZA-ACEPHENANTHRYLENE AND 3-ARYLSULFONYL-6,6a,7,8,9,10-HEXAHYDRO-3H-3,8,10a-TRIAZA-CYCLOPENTA[C]FLUORENE DERIVATIVES AS SEROTONIN 5-HT6 LIGANDS H. LUNDBECK A/S (DK) 2011-07-28 WO disclosed
EP-2301625-A2 Compositions and methods for treating cognitive disorders F. Hoffmann-La Roche AG (CH) 2011-03-30 EP disclosed
EP-1799306-B1 COMPOSITIONS AND METHODS FOR TREATING COGNITIVE DISORDERS HOFFMANN LA ROCHE (CH) 2011-02-23 EP disclosed
US-7713954-B2 Compositions and methods for treating cognitive disorders ROCHE PALO ALTO LLC (US) 2010-05-11 US disclosed
EP-1799306-A2 COMPOSITIONS AND METHODS FOR TREATING COGNITIVE DISORDERS F. Hoffmann-Roche AG (CH) 2007-06-27 EP disclosed
EP-1401812-B1 4-PIPERAZINYLINDOLE DERIVATIVES WITH 5-HT6 RECEPTOR AFFINITY HOFFMANN LA ROCHE (CH) 2006-06-28 EP disclosed
WO-2006037482-A2 COMPOSITIONS AND METHODS FOR TREATING COGNITIVE DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2006-04-13 WO disclosed
US-20060069094-A1 Compositions and methods for treating cognitive disorders ROCHE PALO ALTO LLC 2006-03-30 US 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 (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-20060069094-A1 Compositions and methods for treating cognitive disorders HTR6, HTR2A, HTR2C HTR6 1/4885HTR1A 5/4885DRD2 88/4885
US-20030045527-A1 4-piperazinylindole derivatives with 5-HT6 receptor affinity HTR6, HTR5A, HTR3A HTR6 1/4885HTR1A 6/4885DRD2 35/4885
US-20140121216-A1 INDOLEAMINE DERIVATIVES FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES TPH1, TPH2, HTR3A HTR6 21/4885HTR1A 5/4885DRD2 105/4885

“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.