SCHEMBL4456780

SCHEMBL4456780

COc1c(C(C)(C)C)cc(C(=O)N[C@H](C(=O)NC2CC2)C(c2ccccc2)c2ccccc2)cc1C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 1/20 0.47
TNFRSF1A P19438 1/20 0.42
ALDH1A1 P00352 2/20 0.40
MAOB P27338 1/20 0.40
MAPK1 P28482 1/20 0.40
CNR1 P21554 2/20 0.39
CNR2 P34972 2/20 0.39
KCNH2 Q12809 4/20 0.39
BACE1 P56817 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
MCHR1 Q99705 1/20 0.38
TSHR P16473 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37

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
SCHEMBL4456783 1.00 MEN1 (0.47) MEN1KMT2ALMNATNFRSF1AALDH1A1
SCHEMBL3638466 0.86 TNFRSF1A (0.46) MEN1KMT2ALMNATNFRSF1AALDH1A1
SCHEMBL4443078 0.86 TNFRSF1A (0.46) MEN1KMT2ALMNATNFRSF1AALDH1A1
SCHEMBL4446586 0.83 TNFRSF1A (0.46) MEN1KMT2ALMNATNFRSF1AALDH1A1
SCHEMBL4446583 0.83 TNFRSF1A (0.46) MEN1KMT2ALMNATNFRSF1AALDH1A1
SCHEMBL4450981 0.81 TNFRSF1A (0.45) MEN1KMT2ALMNATNFRSF1AALDH1A1
SCHEMBL4450978 0.81 TNFRSF1A (0.45) MEN1KMT2ALMNATNFRSF1AALDH1A1
SCHEMBL4450290 0.79 TNFRSF1A (0.41) KMT2ALMNATNFRSF1AALDH1A1KCNH2
SCHEMBL4450295 0.79 TNFRSF1A (0.41) KMT2ALMNATNFRSF1AALDH1A1KCNH2
SCHEMBL4454644 0.77 TACR1 (0.43) KMT2ATNFRSF1AALDH1A1KCNH2TSHR

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 1973/4885KMT2A 3483/4885LMNA 1070/4885

“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.