SCHEMBL4447357

SCHEMBL4447357

CNC(=O)[C@H](NC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1)c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 6/20 0.46
HDAC3 O15379 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
MTTP P55157 2/20 0.41
RORC P51449 2/20 0.41
KCNH2 Q12809 3/20 0.41
MAPK1 P28482 2/20 0.40
NPC1 O15118 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
XBP1 P17861 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NR1H4 Q96RI1 1/20 0.39
ALDH1A1 P00352 1/20 0.38
GAA P10253 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
SCHEMBL4446727 1.00 ANPEP (0.46) ANPEPHDAC3HDAC6MTTPRORC
SCHEMBL4446731 1.00 ANPEP (0.46) ANPEPHDAC3HDAC6MTTPRORC
SCHEMBL4448206 0.87 MTTP (0.52) HDAC3HDAC6MTTPRORCMAPK1
SCHEMBL4448204 0.87 MTTP (0.52) HDAC3HDAC6MTTPRORCMAPK1
SCHEMBL4450456 0.77 NPC1 (0.64) ANPEPNPC1RAB9AALDH1A1GAA
SCHEMBL4456942 0.77 TACR1 (0.49) MTTPRORC
SCHEMBL4453007 0.76 NPSR1 (0.40) HDAC3HDAC6MTTP
SCHEMBL4453004 0.76 NPSR1 (0.40) HDAC3HDAC6MTTP
SCHEMBL4450971 0.74 TACR3 (0.52) MTTPMAPK1MEN1KMT2A
SCHEMBL4450969 0.74 TACR3 (0.52) MTTPMAPK1MEN1KMT2A

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 ANPEP 364/4885HDAC3 3823/4885HDAC6 3122/4885

“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.