SCHEMBL4454285

SCHEMBL4454285

CC(C)(C)c1cc(C(=O)N[C@H](C(N)=O)C(c2ccccc2)c2ccccc2)cc(C(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
TACR1 P25103 1/20 0.41
HPGDS O60760 2/20 0.41
NR1H4 Q96RI1 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
EPHX1 P07099 5/20 0.40
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
SLC1A2 P43004 1/20 0.38

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
SCHEMBL4454289 1.00 MEN1 (0.43) MEN1LMNAMAPK1KMT2AL3MBTL1
SCHEMBL4452601 0.86 L3MBTL1 (0.44) MEN1LMNAMAPK1KMT2AL3MBTL1
SCHEMBL4452596 0.86 L3MBTL1 (0.44) MEN1LMNAMAPK1KMT2AL3MBTL1
SCHEMBL4450901 0.84 CA1 (0.46) MEN1LMNAMAPK1KMT2ATACR1
SCHEMBL4450893 0.84 CA1 (0.46) MEN1LMNAMAPK1KMT2ATACR1
SCHEMBL4446586 0.82 TNFRSF1A (0.46) MEN1LMNAMAPK1KMT2AHPGDS
SCHEMBL4446583 0.82 TNFRSF1A (0.46) MEN1LMNAMAPK1KMT2AHPGDS
SCHEMBL28408493 0.80 RXFP1 (0.57) MEN1LMNAMAPK1KMT2ATACR1
SCHEMBL4446927 0.78 CTSL (0.39) MEN1LMNAMAPK1KMT2AL3MBTL1
SCHEMBL4446922 0.78 CTSL (0.39) MEN1LMNAMAPK1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090012010-A1 Amino acid derivatives as calcium channel blockers NEUROMED PHRAMACEUTICALS LTD. (CA) 2009-01-08 US disclosed
US-20090012010-A1 Amino acid derivatives as calcium channel blockers NEUROMED PHRAMACEUTICALS LTD. (CA) 2009-01-08 US disclosed
US-20090012010-A1 Amino acid derivatives as calcium channel blockers NEUROMED PHRAMACEUTICALS LTD. (CA) 2009-01-08 US disclosed
WO-2008141446-A1 AMINO ACID DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2008-11-27 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-20090012010-A1 Amino acid derivatives as calcium channel blockers CACNA1G, CACNA1H, CACNA1I MEN1 1973/4885LMNA 1070/4885MAPK1 1623/4885

“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.