SCHEMBL1136464

SCHEMBL1136464

O=S(=O)(c1cccc(F)c1)n1ccc2c(N3CCNCC3)cccc21

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 20/20 0.77
HTR1A P08908 2/20 0.58
DRD2 P14416 2/20 0.58
HTR2A P28223 2/20 0.58
CYP1A2 P05177 1/20 0.58
ADRB1 P08588 1/20 0.58
CYP3A4 P08684 1/20 0.58
ADRA2A P08913 1/20 0.58
CHRM1 P11229 1/20 0.58
ADRA2B P18089 1/20 0.58
SLC6A2 P23975 1/20 0.58
HTR1B P28222 1/20 0.58
HTR2C P28335 1/20 0.58
CYP2C19 P33261 1/20 0.58
HTR7 P34969 1/20 0.58
HRH1 P35367 1/20 0.58
OPRM1 P35372 1/20 0.58
DRD3 P35462 1/20 0.58
OPRK1 P41145 1/20 0.58
HTR2B P41595 1/20 0.58

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
SCHEMBL4321340 0.88 HTR6 (0.80) HTR6HTR1ADRD2HTR2ACYP3A4
Hydrochloric Acid SCHEMBL4314129 0.87 HTR6 (0.78) HTR6HTR1ADRD2HTR2ACYP3A4
SCHEMBL1136504 0.87 HTR6 (1.00) HTR6HTR1ADRD2HTR2A
SCHEMBL15655470 0.86 HTR6 (0.77) HTR6HTR1ADRD2HTR2AHTR7
SCHEMBL14359363 0.86 HTR6 (0.77) HTR6HTR1ADRD2HTR2A
SCHEMBL5698346 0.86 HTR6 (0.77) HTR6HTR1ADRD2HTR2A
SCHEMBL1136472 0.86 HTR6 (1.00) HTR6HTR1ADRD2HTR2AHTR7
SCHEMBL5698358 0.86 HTR6 (0.77) HTR6HTR1ADRD2HTR2A
Hydrochloric Acid SCHEMBL4316248 0.86 HTR6 (0.97) HTR6HTR1ADRD2HTR2A
Hydrochloric Acid SCHEMBL1537862 0.86 HTR6 (0.97) 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 17 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
US-20030045527-A1 4-piperazinylindole derivatives with 5-HT6 receptor affinity SYNTEX (U.S.A.) LLC 2003-03-06 US 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
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.