SCHEMBL6494079

SCHEMBL6494079

CC(C)(C)OC(=O)NCCC[C@H](O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
GAA P10253 1/20 0.61
RIPK1 Q13546 1/20 0.51
CTSK P43235 3/20 0.49
CTSS P25774 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MALT1 Q9UDY8 1/20 0.48
IDO1 P14902 1/20 0.48
NPSR1 Q6W5P4 3/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
MMP1 P03956 1/20 0.46
MMP3 P08254 1/20 0.46
MMP9 P14780 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
DRD2 P14416 1/20 0.46
GPR88 Q9GZN0 1/20 0.45

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
SCHEMBL6500581 1.00 MEN1 (0.61) MEN1KMT2AGAARIPK1CTSK
SCHEMBL6491658 1.00 MEN1 (0.61) MEN1KMT2AGAARIPK1CTSK
SCHEMBL25496781 0.96 MEN1 (0.56) MEN1KMT2AGAARIPK1CTSK
SCHEMBL17267572 0.94 MEN1 (0.55) MEN1KMT2AGAARIPK1CTSK
SCHEMBL25496784 0.94 MEN1 (0.55) MEN1KMT2AGAARIPK1CTSK
SCHEMBL16084764 0.93 RIPK1 (0.53) MEN1KMT2AGAARIPK1CTSK
SCHEMBL1521024 0.93 RIPK1 (0.53) MEN1KMT2AGAARIPK1CTSK
SCHEMBL25496750 0.87 MEN1 (0.56) MEN1KMT2AGAATDP1MALT1
SCHEMBL25496751 0.86 GAA (0.55) MEN1KMT2AGAACTSKCTSS
SCHEMBL3649756 0.86 GAA (0.55) MEN1KMT2AGAATDP1IDO1

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
US-6887871-B2 Use of phenylheteroakylamine derivatives ASTRAZENECA AB (SE) 2005-05-03 US disclosed
EP-1263711-B1 NOVEL USE OF PHENYLHETEROALKYLAMINE DERIVATIVES ASTRAZENECA AB (SE) 2004-12-15 EP disclosed
US-20030158185-A1 Novel use of phenylheteroakylamine derivatives ASTRAZENECA AB (SE) 2003-08-21 US disclosed
EP-1263711-A1 NOVEL USE OF PHENYLHETEROALKYLAMINE DERIVATIVES AstraZeneca AB (SE) 2002-12-11 EP disclosed
WO-2001062704-A1 NOVEL USE OF PHENYLHETEROALKYLAMINE DERIVATIVES ASTRAZENECA AB (SE) 2001-08-30 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-20030158185-A1 Novel use of phenylheteroakylamine derivatives NOS1, XDH, NOS2 MEN1 4489/4885KMT2A 3267/4885GAA 273/4885

“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.