SCHEMBL4446583

SCHEMBL4446583

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

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 2/20 0.46
ALDH1A1 P00352 5/20 0.45
RXFP1 Q9HBX9 1/20 0.43
LMNA P02545 3/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
CRHBP P24387 1/20 0.39
HTT P42858 1/20 0.39
CRHR2 Q13324 1/20 0.39
CYP3A4 P08684 1/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 2/20 0.37
HPGDS O60760 1/20 0.37
PKM P14618 1/20 0.37
MAPK1 P28482 1/20 0.37
KCNH2 Q12809 1/20 0.36
GPR139 Q6DWJ6 2/20 0.36
USP2 O75604 1/20 0.36

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
SCHEMBL4446586 1.00 TNFRSF1A (0.46) TNFRSF1AALDH1A1RXFP1LMNAKDM4E
SCHEMBL4443078 0.87 TNFRSF1A (0.46) TNFRSF1AALDH1A1RXFP1LMNAKDM4E
SCHEMBL3638466 0.87 TNFRSF1A (0.46) TNFRSF1AALDH1A1RXFP1LMNAKDM4E
SCHEMBL4450981 0.86 TNFRSF1A (0.45) TNFRSF1AALDH1A1RXFP1LMNAKDM4E
SCHEMBL4450978 0.86 TNFRSF1A (0.45) TNFRSF1AALDH1A1RXFP1LMNAKDM4E
SCHEMBL4450014 0.86 ALDH1A1 (0.48) ALDH1A1RXFP1LMNAMAPTMEN1
SCHEMBL4450021 0.86 ALDH1A1 (0.48) ALDH1A1RXFP1LMNAMAPTMEN1
SCHEMBL4451030 0.86 TNFRSF1A (0.48) TNFRSF1AALDH1A1RXFP1LMNACYP3A4
SCHEMBL4457047 0.86 TNFRSF1A (0.48) TNFRSF1AALDH1A1RXFP1LMNACYP3A4
SCHEMBL4451029 0.86 TNFRSF1A (0.48) TNFRSF1AALDH1A1RXFP1LMNACYP3A4

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 TNFRSF1A 3963/4885ALDH1A1 2335/4885RXFP1 2511/4885

“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.