SCHEMBL3638466

SCHEMBL3638466

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 2/20 0.46
ALDH1A1 P00352 4/20 0.44
RXFP1 Q9HBX9 1/20 0.42
LMNA P02545 2/20 0.39
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
GPR139 Q6DWJ6 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
MAPK1 P28482 1/20 0.37
ADAM17 P78536 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
S1PR3 Q99500 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
SCHEMBL4443078 1.00 TNFRSF1A (0.46) TNFRSF1AALDH1A1RXFP1LMNAKDM4E
SCHEMBL4446583 0.87 TNFRSF1A (0.46) TNFRSF1AALDH1A1RXFP1LMNAKDM4E
SCHEMBL4446586 0.87 TNFRSF1A (0.46) TNFRSF1AALDH1A1RXFP1LMNAKDM4E
SCHEMBL14025189 0.87 RXFP1 (0.41) ALDH1A1RXFP1LMNAMEN1KMT2A
SCHEMBL4443072 0.87 ALDH1A1 (0.47) ALDH1A1RXFP1LMNAMAPTMEN1
SCHEMBL4443068 0.87 ALDH1A1 (0.47) ALDH1A1RXFP1LMNAMAPTMEN1
SCHEMBL4456780 0.86 MEN1 (0.47) TNFRSF1AALDH1A1RXFP1LMNAMEN1
SCHEMBL4456783 0.86 MEN1 (0.47) TNFRSF1AALDH1A1RXFP1LMNAMEN1
SCHEMBL4447518 0.86 TNFRSF1A (0.47) TNFRSF1AALDH1A1RXFP1LMNAKDM4E
SCHEMBL4450275 0.86 TNFRSF1A (0.47) TNFRSF1AALDH1A1RXFP1LMNAKDM4E

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155183-A1 AMINO ACID DERIVATIVES AS CALCIUM CHANNEL BLOCKERS Neuromed Pharmaceuticals Ltd. (CA) 2010-02-24 EP 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
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
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.