SCHEMBL4448204

SCHEMBL4448204

CNC(=O)[C@@H](NC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTTP P55157 1/20 0.52
TACR3 P29371 3/20 0.48
TACR1 P25103 3/20 0.46
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
MMP2 P08253 5/20 0.43
MMP9 P14780 5/20 0.43
MMP1 P03956 4/20 0.43
MMP3 P08254 4/20 0.43
MMP14 P50281 4/20 0.43
S1PR3 Q99500 3/20 0.43
CTSL P07711 1/20 0.43
CTSS P25774 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
RORC P51449 1/20 0.42

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
SCHEMBL4448206 1.00 MTTP (0.52) MTTPTACR3TACR1MEN1LMNA
SCHEMBL4446731 0.87 ANPEP (0.46) MTTPMEN1MAPK1KMT2AHDAC3
SCHEMBL4447357 0.87 ANPEP (0.46) MTTPMEN1MAPK1KMT2AHDAC3
SCHEMBL4446727 0.87 ANPEP (0.46) MTTPMEN1MAPK1KMT2AHDAC3
SCHEMBL4450969 0.87 TACR3 (0.52) MTTPTACR3MEN1LMNAMAPK1
SCHEMBL4450971 0.87 TACR3 (0.52) MTTPTACR3MEN1LMNAMAPK1
SCHEMBL4450893 0.85 CA1 (0.46) TACR3TACR1MEN1LMNAMAPK1
SCHEMBL4450901 0.85 CA1 (0.46) TACR3TACR1MEN1LMNAMAPK1
SCHEMBL4452601 0.84 L3MBTL1 (0.44) MTTPTACR3TACR1MEN1LMNA
SCHEMBL4452596 0.84 L3MBTL1 (0.44) MTTPTACR3TACR1MEN1LMNA

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 MTTP 2378/4885TACR3 556/4885TACR1 541/4885

“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.