SCHEMBL1136474

SCHEMBL1136474

O=S(=O)(c1cccc2ccccc12)n1ccc2c(N3CCNCC3)cccc21

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 19/20 0.76
HTR1A P08908 2/20 0.57
HTR2A P28223 2/20 0.57
HTR3E A5X5Y0 1/20 0.57
HTR3B O95264 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2D6 P10635 1/20 0.57
NCF1 P14598 1/20 0.57
TSHR P16473 1/20 0.57
NFKB1 P19838 1/20 0.57
HTR1D P28221 1/20 0.57
HTR1B P28222 1/20 0.57
HTR7 P34969 1/20 0.57
MTOR P42345 1/20 0.57
HTR3A P46098 1/20 0.57
HTR5A P47898 1/20 0.57
HTR3D Q70Z44 1/20 0.57
HTR3C Q8WXA8 1/20 0.57
HSD17B10 Q99714 1/20 0.57
SIGMAR1 Q99720 1/20 0.57

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
Hydrochloric Acid SCHEMBL4319125 0.99 HTR6 (0.74) HTR6HTR1AHTR2AHTR3EHTR3B
Hydrochloric Acid SCHEMBL4309981 0.87 HTR6 (0.77) HTR6HTR1AHTR2ADRD2
SCHEMBL1136428 0.86 HTR6 (0.76) HTR6HTR1AHTR2ADRD2
SCHEMBL5698325 0.86 HTR6 (0.76) HTR6HTR1AHTR2ADRD2
SCHEMBL1537823 0.86 HTR6 (0.76) HTR6HTR1AHTR2ACYP2D6DRD2
SCHEMBL4313475 0.86 HTR6 (0.76) HTR6HTR1AHTR2ADRD2
Hydrochloric Acid SCHEMBL4309960 0.85 HTR6 (0.74) HTR6HTR1AHTR2ADRD2
Hydrochloric Acid SCHEMBL6521961 0.85 HTR6 (0.74) HTR6HTR1AHTR2ADRD2
SCHEMBL4316176 0.84 HTR6 (0.66) HTR6HTR1AHTR2ADRD2
SCHEMBL4306547 0.83 HTR6 (0.71) HTR6HTR1AHTR2ADRD2

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 24 patents — showing the first 20. 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
US-7524839-B2 Compounds, their use and preparation BIOVITRUM AM (PUBL.) 2009-04-28 US claimed
EP-1799306-A2 COMPOSITIONS AND METHODS FOR TREATING COGNITIVE DISORDERS F. Hoffmann-Roche AG (CH) 2007-06-27 EP claimed
US-7087750-B2 Compounds, their use and preparation BIOVITRUM AB (SE) 2006-08-08 US 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
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
US-7524839-B2 Compounds, their use and preparation BIOVITRUM AM (PUBL.) 2009-04-28 US disclosed
EP-1799306-A2 COMPOSITIONS AND METHODS FOR TREATING COGNITIVE DISORDERS F. Hoffmann-Roche AG (CH) 2007-06-27 EP disclosed
US-20050256106-A1 Novel compounds, their use and preparation BIOVITRUM AB, A STOCKHOLM, SWEDEN CORPORATION 2005-11-17 US disclosed
US-6790848-B2 TREATING CENTRAL NERVOUS SYSTEM OR GASTROINTESTINAL DISORDERS SYNTEX (U.S.A.) LLC 2004-09-14 US disclosed
EP-1326830-A1 2-, 3-, 4-, OR 5-SUBSTITUTED-N1-(BENZENSULFONYL)INDOLES AND THEIR USE IN THERAPY BIOVITRUM AB (SE) 2003-07-16 EP disclosed
US-20030045527-A1 4-piperazinylindole derivatives with 5-HT6 receptor affinity SYNTEX (U.S.A.) LLC 2003-03-06 US disclosed
US-20020165251-A1 Novel compounds, their use and preparation PROXIMAGEN NEUROSCIENCE PLC (GB) 2002-11-07 US disclosed
WO-2002032863-A1 2-, 3-, 4-, OR 5-SUBSTITUTED-N1-(BENZENSULFONYL)INDOLES AND THEIR USE IN THERAPY BIOVITRUM AB (SE) 2002-04-25 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 (4 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 5/4885HTR2A 2/4885
US-20030045527-A1 4-piperazinylindole derivatives with 5-HT6 receptor affinity HTR6, HTR5A, HTR3A HTR6 1/4885HTR1A 6/4885HTR2A 11/4885
US-20020165251-A1 Novel compounds, their use and preparation HTR6, HTR1A, HTR5A HTR6 1/4885HTR1A 2/4885HTR2A 11/4885
US-20050256106-A1 Novel compounds, their use and preparation HTR6, HTR3C, HTR1A HTR6 1/4885HTR1A 3/4885HTR2A 12/4885

“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.