SCHEMBL4675482

SCHEMBL4675482

N#Cc1cccc(CN2C(=O)COc3c(N4CCNCC4)cccc32)c1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.74
DRD2 P14416 3/20 0.46
HTR1A P08908 2/20 0.46
DRD3 P35462 1/20 0.43
TACR1 P25103 1/20 0.41
DPP4 P27487 1/20 0.41
CHRM3 P20309 2/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
NMT1 P30419 1/20 0.40
ADRB1 P08588 1/20 0.39
DRD4 P21917 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL4678033 0.89 HTR6 (0.78) HTR6DRD2DRD3NMT1ADRB1
SCHEMBL1136491 0.86 HTR6 (1.00) HTR6DRD2HTR1ASLC6A2SLC6A4
SCHEMBL4674680 0.85 HTR6 (0.78) HTR6DRD2HTR1ADRD3CHRM3
SCHEMBL4673532 0.85 HTR6 (0.78) HTR6DRD2HTR1ASLC6A2SLC6A4
Hydrochloric Acid SCHEMBL4678621 0.85 HTR6 (0.98) HTR6DRD2HTR1ASLC6A2SLC6A4
Hydrochloric Acid SCHEMBL4677722 0.84 HTR6 (0.76) HTR6DRD2HTR1ASLC6A2SLC6A4
SCHEMBL4677556 0.82 HTR6 (0.73) HTR6DRD2HTR1AADRB1L3MBTL1
SCHEMBL4675866 0.82 HTR6 (0.72) HTR6DRD2HTR1A
SCHEMBL4673608 0.81 HTR6 (0.83) HTR6DRD2HTR1ADRD3ADRB1
SCHEMBL4677731 0.81 HTR6 (0.81) HTR6DRD2HTR1ADRD3NMT1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1562918-B1 SUBSTITUTED BENZOXAZINONES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2008-01-16 EP claimed
US-7141562-B2 Substituted benzoxazinones and uses thereof ROCHE PALO ALTO LLC (US) 2006-11-28 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-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
US-7141562-B2 Substituted benzoxazinones and uses thereof ROCHE PALO ALTO LLC (US) 2006-11-28 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 (1 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-20040092512-A1 Substituted benzoxazinones and uses thereof CYP4X1, CYP3A5, CYP2D6 HTR6 399/4885DRD2 1395/4885HTR1A 986/4885

“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.