SCHEMBL4451030

SCHEMBL4451030

COc1c(C(C)(C)C)cc(C(=O)NC(C(N)=O)c2ccccc2)cc1C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 2/20 0.48
ALDH1A1 P00352 3/20 0.46
S1PR3 Q99500 1/20 0.45
RXFP1 Q9HBX9 1/20 0.44
TACR3 P29371 1/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CTSL P07711 1/20 0.40
CTSS P25774 1/20 0.40
CYP3A4 P08684 1/20 0.40
GPR139 Q6DWJ6 3/20 0.40
GAA P10253 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
ROCK2 O75116 1/20 0.39

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
SCHEMBL4451029 1.00 TNFRSF1A (0.48) TNFRSF1AALDH1A1S1PR3RXFP1TACR3
SCHEMBL4457047 1.00 TNFRSF1A (0.48) TNFRSF1AALDH1A1S1PR3RXFP1TACR3
SCHEMBL4447518 0.87 TNFRSF1A (0.47) TNFRSF1AALDH1A1S1PR3RXFP1TACR3
SCHEMBL4450275 0.87 TNFRSF1A (0.47) TNFRSF1AALDH1A1S1PR3RXFP1TACR3
SCHEMBL4447516 0.87 TNFRSF1A (0.47) TNFRSF1AALDH1A1S1PR3RXFP1TACR3
SCHEMBL4449921 0.86 TNFRSF1A (0.46) TNFRSF1AALDH1A1S1PR3RXFP1TACR3
SCHEMBL4449926 0.86 TNFRSF1A (0.46) TNFRSF1AALDH1A1S1PR3RXFP1TACR3
SCHEMBL4446586 0.86 TNFRSF1A (0.46) TNFRSF1AALDH1A1RXFP1LMNAMEN1
SCHEMBL4446583 0.86 TNFRSF1A (0.46) TNFRSF1AALDH1A1RXFP1LMNAMEN1
SCHEMBL4450893 0.81 CA1 (0.46) S1PR3TACR3LMNAMEN1KMT2A

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 1 patent. 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

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 2335/4885S1PR3 4723/4885

“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.