SCHEMBL6865491

SCHEMBL6865491

CC(C)(CN(CC(=O)O)CC(=O)O)CN(CC(=O)O)CC(Cc1ccc(N)cc1)N(CC(=O)O)CC(=O)O

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MAOB P27338 3/20 0.32
SOAT1 P35610 1/20 0.32
OPRM1 P35372 2/20 0.31
OPRD1 P41143 2/20 0.31
OPRK1 P41145 2/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
EPHX2 P34913 1/20 0.30
COPS5 Q92905 1/20 0.30

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
SCHEMBL1742184 0.87 SOAT1 (0.37) NPC1RAB9AMAOBSOAT1
SCHEMBL10413971 0.87 SOAT1 (0.37) NPC1RAB9AMAOBSOAT1
SCHEMBL6560960 0.84 KMT2A (0.38) OPRK1EPHX2
SCHEMBL21652462 0.83 TDP1 (0.39)
SCHEMBL189879 0.83 TDP1 (0.39)
SCHEMBL29395464 0.83 TDP1 (0.39)
SCHEMBL7115814 0.83 HSD17B10 (0.36) MAOBOPRD1
SCHEMBL13814007 0.82 NPC1 (0.36) NPC1RAB9AMAOBSOAT1COPS5
SCHEMBL13814005 0.82 NPC1 (0.36) NPC1RAB9AMAOBSOAT1COPS5
SCHEMBL1493215 0.82 NPC1 (0.36) NPC1RAB9AMAOBSOAT1COPS5

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-20040258620-A1 (Ethylene)-( propylene)-triaminepentaacetic acid derivatives, process for their production, and their use for the production of pharmaceutical agents SCHERING AG (DE) 2004-12-23 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-20040258620-A1 (Ethylene)-( propylene)-triaminepentaacetic acid derivatives, process for their production, and their use for the production of pharmaceutical agents EEA1, PCTP, TTPA NPC1 2094/4885RAB9A 3429/4885MAOB 2587/4885

“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.