SCHEMBL4673608

SCHEMBL4673608

O=C1COc2c(N3CCNCC3)cccc2N1Cc1ccc(Cl)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.83
DRD4 P21917 3/20 0.49
SLC5A1 P13866 1/20 0.46
SLC5A2 P31639 1/20 0.46
ADRB1 P08588 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
DRD2 P14416 4/20 0.42
HTR2A P28223 3/20 0.42
HTR1A P08908 3/20 0.42
DRD3 P35462 3/20 0.42
HTR2C P28335 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MCHR1 Q99705 1/20 0.41
HTR3A P46098 2/20 0.41
HTR7 P34969 1/20 0.41
HTR2B P41595 1/20 0.41
HTR5A P47898 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41

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 SCHEMBL4682313 0.99 HTR6 (0.81) HTR6DRD4SLC5A1SLC5A2ADRB1
SCHEMBL1136491 0.91 HTR6 (1.00) HTR6ADRB1DRD2HTR2AHTR1A
SCHEMBL4675930 0.90 HTR6 (0.81) HTR6DRD4ADRB1MEN1KMT2A
Hydrochloric Acid SCHEMBL4678621 0.89 HTR6 (0.98) HTR6ADRB1DRD2HTR2AHTR1A
Hydrochloric Acid SCHEMBL4677234 0.89 HTR6 (0.79) HTR6ADRB1MEN1KMT2AHTR1A
SCHEMBL4678033 0.88 HTR6 (0.78) HTR6DRD4SLC5A1SLC5A2ADRB1
SCHEMBL4677731 0.87 HTR6 (0.81) HTR6DRD4ADRB1DRD2HTR2A
SCHEMBL4681666 0.85 HTR6 (0.61) HTR6DRD4SLC5A1SLC5A2HTR2A
Hydrochloric Acid SCHEMBL4677719 0.84 HTR6 (0.60) HTR6DRD4SLC5A1SLC5A2HTR2A
SCHEMBL4674680 0.83 HTR6 (0.78) HTR6DRD4ADRB1DRD2HTR1A

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 10 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

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 399/4885DRD4 652/4885SLC5A1 263/4885

“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.