SCHEMBL1136491

SCHEMBL1136491

O=C1COc2c(N3CCNCC3)cccc2N1Cc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 8/20 1.00
HTR1A P08908 2/20 0.46
DRD2 P14416 2/20 0.46
SIGMAR1 Q99720 1/20 0.46
ADRB1 P08588 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
POLB P06746 1/20 0.43
HTR2A P28223 1/20 0.43
MCHR1 Q99705 1/20 0.43

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 SCHEMBL4678621 0.99 HTR6 (0.98) HTR6HTR1ADRD2SIGMAR1ADRB1
SCHEMBL4673608 0.91 HTR6 (0.83) HTR6HTR1ADRD2ADRB1L3MBTL1
SCHEMBL4675930 0.90 HTR6 (0.81) HTR6HTR1ADRD2ADRB1L3MBTL1
SCHEMBL4677731 0.90 HTR6 (0.81) HTR6HTR1ADRD2ADRB1L3MBTL1
Hydrochloric Acid SCHEMBL4682313 0.90 HTR6 (0.81) HTR6HTR1ADRD2ADRB1L3MBTL1
Hydrochloric Acid SCHEMBL4677234 0.89 HTR6 (0.79) HTR6HTR1AADRB1L3MBTL1SLC6A2
SCHEMBL4673532 0.88 HTR6 (0.78) HTR6HTR1ADRD2ADRB1SLC6A2
SCHEMBL4678033 0.88 HTR6 (0.78) HTR6DRD2ADRB1L3MBTL1
SCHEMBL4674680 0.88 HTR6 (0.78) HTR6HTR1ADRD2ADRB1
Hydrochloric Acid SCHEMBL4677722 0.87 HTR6 (0.76) HTR6HTR1ADRD2SLC6A2SLC6A4

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-2301625-A2 Compositions and methods for treating cognitive disorders F. Hoffmann-La Roche AG (CH) 2011-03-30 EP claimed
EP-1562918-B1 SUBSTITUTED BENZOXAZINONES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2008-01-16 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-1562918-A1 SUBSTITUTED BENZOXAZINONES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2005-08-17 EP claimed
WO-2004041792-A1 SUBSTITUTED BENZOXAZINONES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2004-05-21 WO claimed
US-20040092512-A1 Substituted benzoxazinones and uses thereof ROCHE PALO ALTO LLC 2004-05-13 US 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
EP-1562918-B1 SUBSTITUTED BENZOXAZINONES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2008-01-16 EP disclosed
EP-1562918-B1 SUBSTITUTED BENZOXAZINONES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2008-01-16 EP disclosed
EP-1799306-A2 COMPOSITIONS AND METHODS FOR TREATING COGNITIVE DISORDERS F. Hoffmann-Roche AG (CH) 2007-06-27 EP disclosed
US-7141562-B2 Substituted benzoxazinones and uses thereof ROCHE PALO ALTO LLC (US) 2006-11-28 US 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
EP-1562918-A1 SUBSTITUTED BENZOXAZINONES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2005-08-17 EP disclosed
WO-2004041792-A1 SUBSTITUTED BENZOXAZINONES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2004-05-21 WO disclosed
US-20040092512-A1 Substituted benzoxazinones and uses thereof ROCHE PALO ALTO LLC 2004-05-13 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 (2 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-20040092512-A1 Substituted benzoxazinones and uses thereof CYP4X1, CYP3A5, CYP2D6 HTR6 399/4885HTR1A 986/4885DRD2 1395/4885

“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.