SCHEMBL6698573

SCHEMBL6698573

CCCN(CCC)C(=O)CCCC(=O)N[C@@H](CC(C)C)C(O)CNCCC(C)C

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CCR2 P41597 1/20 0.35
PLA2G4A P47712 2/20 0.34
CETP P11597 1/20 0.33
FAAH O00519 1/20 0.33
BACE1 P56817 2/20 0.33
DEGS1 O15121 1/20 0.32
CTSD P07339 1/20 0.32

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
SCHEMBL6701846 0.87 MEN1 (0.33) PLA2G10MEN1KMT2ACCR2PLA2G4A
SCHEMBL6699961 0.85 REN (0.41)
SCHEMBL6649972 0.83 GRIA1 (0.43) BACE1CTSD
SCHEMBL3349319 0.83 BACE1 (0.41) CCR2BACE1CTSD
SCHEMBL3356712 0.83 BACE1 (0.41) CCR2BACE1CTSD
SCHEMBL6703417 0.82 BACE1 (0.41) BACE1CTSD
SCHEMBL3356682 0.82 BACE1 (0.39) CCR2BACE1CTSD
SCHEMBL6703702 0.82 BACE1 (0.41) BACE1CTSD
SCHEMBL3355949 0.81 BACE1 (0.49) BACE1CTSD
SCHEMBL3354004 0.81 POLB (0.38) KMT2ACCR2BACE1CTSD

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-20040171881-A1 N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives PHARMACIA & UPJOHN COMPANY 2004-09-02 US claimed

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-20040171881-A1 N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives BACE1, BACE2, PSEN1 PLA2G10 2348/4885MEN1 2250/4885KMT2A 3899/4885

“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.