SCHEMBL4675930

SCHEMBL4675930

O=C1COc2c(N3CCNCC3)cccc2N1Cc1ccc(F)cc1

nearest known ligand 0.81

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 9/20 0.81
TSHR P16473 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HTR7 P34969 2/20 0.42
ADRB1 P08588 1/20 0.42
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
HTR1A P08908 2/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HTR3A P46098 1/20 0.40
HTR2B P41595 1/20 0.40
NR3C2 P08235 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 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 SCHEMBL4677234 0.99 HTR6 (0.79) HTR6TSHRMEN1KMT2AHTR7
SCHEMBL4673608 0.90 HTR6 (0.83) HTR6MEN1KMT2AHTR7ADRB1
SCHEMBL1136491 0.90 HTR6 (1.00) HTR6ADRB1L3MBTL1HTR1ASLC6A2
SCHEMBL4673532 0.89 HTR6 (0.78) HTR6MEN1KMT2AHTR7ADRB1
SCHEMBL1136533 0.89 HTR6 (0.64) HTR6TSHRMEN1KMT2AHTR7
Hydrochloric Acid SCHEMBL4682313 0.89 HTR6 (0.81) HTR6MEN1KMT2AHTR7ADRB1
Hydrochloric Acid SCHEMBL4678621 0.88 HTR6 (0.98) HTR6ADRB1L3MBTL1HTR1ASLC6A2
Hydrochloric Acid SCHEMBL4677722 0.88 HTR6 (0.76) HTR6MEN1KMT2AHTR7HTR1A
Hydrochloric Acid SCHEMBL4677938 0.88 HTR6 (0.62) HTR6TSHRMEN1KMT2AHTR7
SCHEMBL4678033 0.87 HTR6 (0.78) HTR6TSHRADRB1SMN1; SMN2L3MBTL1

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 8 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

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 399/4885TSHR 2485/4885MEN1 2058/4885

“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.