SCHEMBL2084429

SCHEMBL2084429

C=CC[C@@]1(C(=O)O)CCCN1C(=O)CNC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
NPFFR1 Q9GZQ6 1/20 0.34
NPFFR2 Q9Y5X5 1/20 0.34
HDAC8 Q9BY41 1/20 0.32
DRD2 P14416 5/20 0.32
HCRTR2 O43614 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
MMP1 P03956 1/20 0.31
MMP9 P14780 1/20 0.31
MMP13 P45452 1/20 0.31
GAA P10253 1/20 0.31
EPHX1 P07099 1/20 0.30
CD274 Q9NZQ7 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL2084957 0.90 MEN1 (0.38) MEN1KMT2AALDH1A1TSHRSIGMAR1
SCHEMBL8199704 0.90 MEN1 (0.38) MEN1KMT2AALDH1A1TSHRSIGMAR1
SCHEMBL7264298 0.82 GRIN2B (0.37) CD274
SCHEMBL3514059 0.82 GRIN2B (0.37) CD274
SCHEMBL7258557 0.82 GRIN2B (0.37) CD274
SCHEMBL30612470 0.80 GPR4 (0.33) CD274
SCHEMBL2077954 0.79 MEN1 (0.33) MEN1KMT2AALDH1A1TSHR
SCHEMBL2083438 0.79 SIGMAR1 (0.53) SIGMAR1NPFFR1NPFFR2
SCHEMBL31730515 0.78 MEN1 (0.43) MEN1KMT2AALDH1A1TSHRSIGMAR1
SCHEMBL2084143 0.78 PREP (0.47) ALDH1A1

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-7863304-B2 Analogs of glycyl-prolyl-glutamate NEUREN PHARMACEUTICALS LIMITED (NZ) 2011-01-04 US disclosed
US-20080145335-A1 Analogs of Glycyl-Prolyl-Glutamate NEUREN PHARMACEUTICALS LIMITED (NZ) 2008-06-19 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-20080145335-A1 Analogs of Glycyl-Prolyl-Glutamate GLS, GLUL, HIF1A MEN1 4776/4885KMT2A 1461/4885ALDH1A1 574/4885

“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.