SCHEMBL4450290

SCHEMBL4450290

COc1c(C(C)(C)C)cc(C(=O)N[C@H](C(=O)N2CCCCC2)C(c2ccccc2)c2ccccc2)cc1C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 1/20 0.41
MTTP P55157 3/20 0.41
LMNA P02545 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KCNH2 Q12809 6/20 0.40
HTT P42858 1/20 0.38
KMT2A Q03164 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
SCHEMBL4450295 1.00 TNFRSF1A (0.41) TNFRSF1AMTTPLMNAALDH1A1KCNH2
SCHEMBL4454648 0.90 TACR1 (0.43) TNFRSF1AMTTPALDH1A1KCNH2KMT2A
SCHEMBL4454644 0.90 TACR1 (0.43) TNFRSF1AMTTPALDH1A1KCNH2KMT2A
SCHEMBL4446586 0.82 TNFRSF1A (0.46) TNFRSF1ALMNAALDH1A1KCNH2HTT
SCHEMBL4446583 0.82 TNFRSF1A (0.46) TNFRSF1ALMNAALDH1A1KCNH2HTT
SCHEMBL4443078 0.81 TNFRSF1A (0.46) TNFRSF1ALMNAALDH1A1HTTKMT2A
SCHEMBL3638466 0.81 TNFRSF1A (0.46) TNFRSF1ALMNAALDH1A1HTTKMT2A
SCHEMBL4450981 0.80 TNFRSF1A (0.45) TNFRSF1ALMNAALDH1A1KCNH2HTT
SCHEMBL4450978 0.80 TNFRSF1A (0.45) TNFRSF1ALMNAALDH1A1KCNH2HTT
SCHEMBL4456780 0.79 MEN1 (0.47) TNFRSF1ALMNAALDH1A1KCNH2KMT2A

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 3963/4885MTTP 2378/4885LMNA 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.