SCHEMBL4815867

SCHEMBL4815867

CCOC(=O)c1ccc(-c2ccc(OC[C@@H](C)NC(=O)OC(C)(C)C)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
MAPT P10636 4/20 0.45
KCNH2 Q12809 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42
STS P08842 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ACACB O00763 1/20 0.42
SCN9A Q15858 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ATM Q13315 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 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
SCHEMBL4815874 1.00 GAA (0.46) GAAMAPTKCNH2HRH3NPSR1
SCHEMBL19834511 0.86 MAPT (0.51) GAAMAPTACACBSMN1; SMN2LMNA
SCHEMBL9110433 0.86 MAPT (0.51) GAAMAPTACACBSMN1; SMN2LMNA
SCHEMBL7485377 0.82 ADRB2 (0.53) GAAMAPTADRB2ADRB1ADRB3
SCHEMBL7485373 0.82 ADRB2 (0.53) GAAMAPTADRB2ADRB1ADRB3
SCHEMBL5155610 0.82 MTNR1A (0.50) MAPTACACB
SCHEMBL5155608 0.82 MTNR1A (0.50) MAPTACACB
SCHEMBL27895372 0.79 MTNR1A (0.49) KCNH2ADRB2ADRB1ADRB3MEN1
SCHEMBL18290032 0.78 MTNR1A (0.48) ACACB
SCHEMBL13033014 0.78 AAK1 (0.50) MAPTACACBSMN1; SMN2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7417169-B2 Amino alcohol derivatives, medicinal composition containing the same, and use of these KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-08-26 US disclosed
US-20070078184-A1 Amino alcohol derivatives, medicinal composition containing the same, and use of these KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-04-05 US disclosed
EP-1679304-A1 AMINO ALCOHOL DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND USE OF THESE Kissei Pharmaceutical Co., Ltd. (JP) 2006-07-12 EP 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-20070078184-A1 Amino alcohol derivatives, medicinal composition containing the same, and use of these ADRB2, ADRA2A, ADRA1A GAA 4363/4885MAPT 3469/4885KCNH2 491/4885

“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.