SCHEMBL1136445

SCHEMBL1136445

O=C1OCc2c(N3CCNCC3)cccc2N1Cc1cccc(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 10/20 0.50
HTR1A P08908 5/20 0.43
HTR2A P28223 3/20 0.43
HTR7 P34969 3/20 0.43
DRD2 P14416 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
UBE2N P61088 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH3A1 P30838 1/20 0.40
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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 SCHEMBL4616525 0.99 HTR6 (0.49) HTR6HTR1AHTR2AHTR7DRD2
SCHEMBL4613855 0.88 HTR6 (0.64) HTR6HTR1AHTR2AHTR7DRD2
Hydrochloric Acid SCHEMBL4614225 0.86 HTR6 (0.63) HTR6HTR1AHTR2AHTR7DRD2
SCHEMBL3857841 0.83 HTR6 (0.50) HTR6HTR1AHTR2AHTR7DRD2
SCHEMBL1136442 0.82 HTR6 (0.48) HTR6HTR1AHTR2AHTR7DRD2
SCHEMBL4615574 0.81 HTR1A (0.47) HTR6HTR1AHTR2ADRD2SLC6A2
Hydrochloric Acid SCHEMBL4615687 0.81 HTR6 (0.48) HTR6HTR1AHTR2AHTR7DRD2
Hydrochloric Acid SCHEMBL4632915 0.80 HTR1A (0.46) HTR6HTR1AHTR2ADRD2SLC6A2
SCHEMBL4673532 0.80 HTR6 (0.78) HTR6HTR1AHTR2AHTR7DRD2
Hydrochloric Acid SCHEMBL4677722 0.80 HTR6 (0.76) HTR6HTR1AHTR2AHTR7DRD2

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2301625-A2 Compositions and methods for treating cognitive disorders F. Hoffmann-La Roche AG (CH) 2011-03-30 EP claimed
EP-1708713-B1 1-BENZYL-5-PIPERAZIN-1-YL-3,4 DIHYDRO-1H-QUINAZOLIN-2-ONE DERIVATIVES AND THE RESPECTIVE 1H-BENZO(1,2,6)THIADIAZINE-2,2-DIOXIDE AND 1,4-DIHYDRO-BENZO(D)(1,3)OXAZIN-2-ONE DERIVATIVES AS MODULATORS OF THE 5-HYDROXYTRYPTAMINE RECEPTOR (5-HT) FOR THE TREATMENT OF DISEASES OF THE CENTRAL NERVOUS SYSTEM HOFFMANN LA ROCHE (CH) 2008-03-12 EP claimed
EP-1799306-A2 COMPOSITIONS AND METHODS FOR TREATING COGNITIVE DISORDERS F. Hoffmann-Roche AG (CH) 2007-06-27 EP claimed
EP-1708713-A1 1-BENZYL-5-PIPERAZIN-1-YL-3,4 DIHYDRO-1H-QUINAZOLIN-2-ONE DERIVATIVES AND THE RESPECTIVE 1H-BENZO(1,2,6)THIADIAZINE-2,2-DIOXIDE AND 1,4-DIHYDRO-BENZO(D)(1,3)OXAZIN-2-ONE DERIVATIVES AS MODULATORS OF THE 5-HYDROXYTRYPTAMINE RECEPTOR (5-HT) FOR THE TREATMENT OF DISEASES OF THE CENTRAL NERVOUS SYSTEM F. Hoffman-la Roche AG (CH) 2006-10-11 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
WO-2005067933-A1 1-BENZYL-5-PIPERAZIN-1-YL-3,4 DIHYDRO-1H-QUINAZOLIN-2-ONE DERIVATIVES AND THE RESPECTIVE 1H-BENZO(1,2,6)THIADIAZINE-2,2-DIOXIDE AND 1,4-DIHYDRO-BENZO(D) (1,3)OXAZIN-2-ONE DERIVATIVES AS MODULATORS OF THE 5-HYDROXYTRYPTAMINE RECEPTOR (5-HT) FOR THE TREATMENT OF DISEASES OF THE CENTRAL NERVOUS SYSTEM F. HOFFMANN-LA ROCHE AG (CH) 2005-07-28 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-7365063-B2 Quinazolinone and benzoxazinone derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2008-04-29 US disclosed
US-7365063-B2 Quinazolinone and benzoxazinone derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2008-04-29 US disclosed
US-7365063-B2 Quinazolinone and benzoxazinone derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2008-04-29 US disclosed
US-20070149510-A1 Quinazolinone and benzoxazinone derivatives and uses thereof ROCHE PALO ALTO LLC 2007-06-28 US disclosed
US-20070149510-A1 Quinazolinone and benzoxazinone derivatives and uses thereof ROCHE PALO ALTO LLC 2007-06-28 US disclosed
US-7196087-B2 Quinazolinone and benzoxazinone derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2007-03-27 US disclosed
US-7196087-B2 Quinazolinone and benzoxazinone derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2007-03-27 US disclosed
US-7196087-B2 Quinazolinone and benzoxazinone derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2007-03-27 US disclosed
US-20060069094-A1 Compositions and methods for treating cognitive disorders ROCHE PALO ALTO LLC 2006-03-30 US disclosed
US-20050165001-A1 Quinazolinone and benzoxazinone derivatives and uses thereof ROCHE PALO ALTO LLC 2005-07-28 US 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-20070149510-A1 Quinazolinone and benzoxazinone derivatives and uses thereof NQO2, MLX, CYP4X1 HTR6 894/4885HTR1A 731/4885HTR2A 977/4885
US-20060069094-A1 Compositions and methods for treating cognitive disorders HTR6, HTR2A, HTR2C HTR6 1/4885HTR1A 5/4885HTR2A 2/4885
US-20050165001-A1 Quinazolinone and benzoxazinone derivatives and uses thereof NQO2, MLX, CYP4X1 HTR6 894/4885HTR1A 731/4885HTR2A 977/4885

“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.