SCHEMBL4449926

SCHEMBL4449926

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

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 2/20 0.46
TACR3 P29371 1/20 0.45
ALDH1A1 P00352 1/20 0.45
RXFP1 Q9HBX9 1/20 0.43
KLRK1 P26718 5/20 0.42
MICA Q29983 5/20 0.42
RAET1L Q5VY80 4/20 0.42
S1PR3 Q99500 1/20 0.41
OPRK1 P41145 1/20 0.40
LMNA P02545 1/20 0.40
CNR2 P34972 2/20 0.39
ACLY P53396 1/20 0.39
MTTP P55157 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
SCHEMBL4449921 1.00 TNFRSF1A (0.46) TNFRSF1ATACR3ALDH1A1RXFP1KLRK1
SCHEMBL4450981 0.86 TNFRSF1A (0.45) TNFRSF1AALDH1A1RXFP1LMNA
SCHEMBL4450978 0.86 TNFRSF1A (0.45) TNFRSF1AALDH1A1RXFP1LMNA
SCHEMBL4451029 0.86 TNFRSF1A (0.48) TNFRSF1ATACR3ALDH1A1RXFP1S1PR3
SCHEMBL4457047 0.86 TNFRSF1A (0.48) TNFRSF1ATACR3ALDH1A1RXFP1S1PR3
SCHEMBL4451030 0.86 TNFRSF1A (0.48) TNFRSF1ATACR3ALDH1A1RXFP1S1PR3
SCHEMBL4447516 0.85 TNFRSF1A (0.47) TNFRSF1ATACR3ALDH1A1RXFP1S1PR3
SCHEMBL4450275 0.85 TNFRSF1A (0.47) TNFRSF1ATACR3ALDH1A1RXFP1S1PR3
SCHEMBL4447518 0.85 TNFRSF1A (0.47) TNFRSF1ATACR3ALDH1A1RXFP1S1PR3
SCHEMBL4446583 0.77 TNFRSF1A (0.46) TNFRSF1AALDH1A1RXFP1LMNA

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 3963/4885TACR3 556/4885ALDH1A1 2335/4885

“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.