SCHEMBL5216722

SCHEMBL5216722

O=C1COc2ccc(OCC3CCCNC3)cc2N1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.52
HTR1A P08908 6/20 0.49
BRD4 O60885 2/20 0.46
CREBBP Q92793 2/20 0.46
MAOA P21397 2/20 0.46
MAOB P27338 2/20 0.46
HTR1D P28221 2/20 0.45
HTR1B P28222 2/20 0.45
SLC6A4 P31645 4/20 0.44
SLC6A2 P23975 3/20 0.44
SLC6A3 Q01959 1/20 0.44
PARP1 P09874 1/20 0.43
MMP12 P39900 1/20 0.43
MAPT P10636 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
POLB P06746 1/20 0.41
ADRB2 P07550 1/20 0.41
GAA P10253 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
SCHEMBL5217063 0.93 SLC6A4 (0.52) MAP2K1HTR1ABRD4CREBBPMAOA
SCHEMBL13927967 0.81 ROCK1 (0.49) HTR1APARP1MMP12GAA
SCHEMBL13927883 0.81 PARP1 (0.55) HTR1AHTR1DHTR1BSLC6A4PARP1
SCHEMBL5214545 0.81 ROCK1 (0.49) HTR1APARP1MMP12GAA
Hydrochloric Acid SCHEMBL4182822 0.80 PARP1 (0.54) HTR1AHTR1DHTR1BSLC6A4PARP1
Hydrochloric Acid SCHEMBL4188753 0.80 ROCK1 (0.48) HTR1APARP1MMP12GAA
SCHEMBL24093999 0.77 SLC6A4 (0.56) MAP2K1HTR1AMAOBSLC6A4SLC6A2
SCHEMBL5294182 0.77 SLC6A4 (0.56) MAP2K1HTR1AMAOBSLC6A4SLC6A2
SCHEMBL4186945 0.75 HTR1A (0.48) HTR1AHTR1DHTR1BPARP1MMP12
SCHEMBL13927893 0.75 HTR1A (0.48) HTR1AHTR1DHTR1BPARP1MMP12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1330460-B1 BENZOXAZINONE DERIVATIVES, THEIR PREPARATION AND USE SMITHKLINE BEECHAM PLC (GB) 2007-03-21 EP disclosed
US-6939871-B2 Benzoxazinone derivatives, their preparation and use SMITHKLINE BEECHAM P.L.C. (GB) 2005-09-06 US disclosed
US-20040063704-A1 Benzoxazinone derivatives, their preparation and use SMITHKLINE BEECHAM P.L.C (GB) 2004-04-01 US disclosed
EP-1330460-A2 BENZOXAZINONE DERIVATIVES, THEIR PREPARATION AND USE SMITHKLINE BEECHAM PLC (GB) 2003-07-30 EP disclosed
WO-2002034754-A2 BENZOXAZINONE DERIVATIVES, THEIR PREPARATION AND USE SMITHKLINE BEECHAM P.L.C. (GB) 2002-05-02 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-20040063704-A1 Benzoxazinone derivatives, their preparation and use CYP2B6, CBR1, CYP2A6 MAP2K1 2781/4885HTR1A 307/4885BRD4 160/4885

“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.