SCHEMBL4450893

SCHEMBL4450893

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
TACR3 P29371 2/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.45
TACR1 P25103 2/20 0.43
CNR1 P21554 1/20 0.43
ROCK2 O75116 1/20 0.43
NR1H4 Q96RI1 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
EPHX1 P07099 5/20 0.41
S1PR3 Q99500 1/20 0.41
F10 P00742 2/20 0.41
PRSS1 P07477 2/20 0.41
F2 P00734 1/20 0.40

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
SCHEMBL4450901 1.00 CA1 (0.46) CA1CA2TACR3MEN1LMNA
SCHEMBL4448206 0.85 MTTP (0.52) CA1CA2TACR3MEN1LMNA
SCHEMBL4448204 0.85 MTTP (0.52) CA1CA2TACR3MEN1LMNA
SCHEMBL4454285 0.84 MEN1 (0.43) CA1CA2MEN1LMNAMAPK1
SCHEMBL4454289 0.84 MEN1 (0.43) CA1CA2MEN1LMNAMAPK1
SCHEMBL28408493 0.82 RXFP1 (0.57) MEN1LMNAMAPK1KMT2ATACR1
SCHEMBL4451030 0.81 TNFRSF1A (0.48) CA1CA2TACR3MEN1LMNA
SCHEMBL4451029 0.81 TNFRSF1A (0.48) CA1CA2TACR3MEN1LMNA
SCHEMBL4457047 0.81 TNFRSF1A (0.48) CA1CA2TACR3MEN1LMNA
SCHEMBL4681921 0.77 LMNA (0.60) CA1CA2MEN1LMNAKMT2A

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 CA1 347/4885CA2 79/4885TACR3 556/4885

“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.