SCHEMBL13461485

SCHEMBL13461485

CCCCCCNC(=O)CC[C@H](NC(C)C)C(=O)C(C)C

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CASP2 P42575 1/20 0.54
▸ NAAA Q02083 1/20 0.51
▸ EPHX1 P07099 4/20 0.46
▸ FAAH O00519 4/20 0.45
▸ MMP2 P08253 2/20 0.45
▸ MMP9 P14780 2/20 0.45
▸ MMP8 P22894 2/20 0.45
▸ MMP12 P39900 2/20 0.45
▸ MMP14 P50281 2/20 0.45
▸ DNM1 Q05193 1/20 0.43
▸ EPHX2 P34913 3/20 0.43
▸ SLC6A5 Q9Y345 1/20 0.42
▸ NOD1 Q9Y239 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ KMT2A Q03164 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
SCHEMBL21913856 0.90 ALDH1A1 (0.43) CASP2NAAAMMP2MMP9MMP8
SCHEMBL21389084 0.87 NOD1 (0.62) EPHX2SLC6A5NOD1
SCHEMBL12955866 0.87 CASP2 (0.56) CASP2NAAAEPHX1FAAHMMP2
SCHEMBL16409459 0.87 CASP2 (0.51) CASP2NAAAEPHX1FAAHMMP8
SCHEMBL23944184 0.86 ALDH1A1 (0.40) CASP2NAAAMMP2MMP9MMP8
SCHEMBL29300200 0.85 MMP2 (0.53) CASP2NAAAEPHX1MMP2MMP9
SCHEMBL14952664 0.84 ALDH1A1 (0.41) CASP2NAAAMEN1KMT2A
SCHEMBL24494715 0.83 NOD1 (0.60) FAAHEPHX2SLC6A5NOD1
SCHEMBL21389083 0.83 NOD1 (0.53) EPHX2SLC6A5NOD1
SCHEMBL21389121 0.82 CASP2 (0.53) CASP2NAAAEPHX1FAAHDNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100069299-A1 Ghrelin analogs IPSEN PHARMA S.A.S. (FR) 2010-03-18 — — US disclosed
US-7589058-B2 Ghrelin analogs IPSEN PHARMA, S.A.S. (FR) 2009-09-15 — — 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-20100069299-A1 Ghrelin analogs GIPR, GLP1R, GHSR CASP2 2792/4885NAAA 1396/4885EPHX1 4161/4885

“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.

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