SCHEMBL1136436

SCHEMBL1136436

COc1cc(N2CCNCC2)c2c(c1)N(Cc1cccc(Cl)c1)C(=O)CO2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 11/20 0.62
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 3/20 0.42
TSHR P16473 1/20 0.42
TP53 P04637 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
DRD2 P14416 3/20 0.41
HTR1A P08908 2/20 0.41
HTR2A P28223 2/20 0.41
HTR7 P34969 2/20 0.41
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP1A2 P05177 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40

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 SCHEMBL4674782 0.99 HTR6 (0.61) HTR6L3MBTL1MAPTTSHRTP53
SCHEMBL4674304 0.91 HTR6 (0.71) HTR6L3MBTL1MEN1KMT2AHTR1A
Hydrochloric Acid SCHEMBL4678995 0.90 HTR6 (0.70) HTR6L3MBTL1MAPTMEN1KMT2A
SCHEMBL14303272 0.89 HTR6 (0.59) HTR6L3MBTL1TSHRHTR1AHTR2A
SCHEMBL1136465 0.87 HTR6 (0.66) HTR6MAPTTP53MEN1KMT2A
SCHEMBL4682315 0.85 L3MBTL1 (0.50) HTR6L3MBTL1MAPTTSHRTP53
SCHEMBL4677556 0.84 HTR6 (0.73) HTR6L3MBTL1TSHRTP53MEN1
SCHEMBL4675219 0.84 HTR6 (0.55) HTR6L3MBTL1TSHRDRD2HTR1A
Hydrochloric Acid SCHEMBL5857935 0.83 HTR6 (0.54) HTR6L3MBTL1TSHRDRD2HTR1A
SCHEMBL14309626 0.82 HTR6 (0.69) HTR6L3MBTL1DRD2HTR1ADRD4

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 19 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
US-7141562-B2 Substituted benzoxazinones and uses thereof ROCHE PALO ALTO LLC (US) 2006-11-28 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-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-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

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 1/4885L3MBTL1 4406/4885MAPT 381/4885
US-20040092512-A1 Substituted benzoxazinones and uses thereof CYP4X1, CYP3A5, CYP2D6 HTR6 399/4885L3MBTL1 4721/4885MAPT 4743/4885

“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.