SCHEMBL6701846

SCHEMBL6701846

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

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CCR2 P41597 1/20 0.33
PLA2G4A P47712 2/20 0.32
CETP P11597 1/20 0.31
FAAH O00519 1/20 0.31
CTSD P07339 1/20 0.31
BACE1 P56817 1/20 0.31
DEGS1 O15121 1/20 0.30
PLA2G10 O15496 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
SCHEMBL6698573 0.87 PLA2G10 (0.37) MEN1KMT2ACCR2PLA2G4ACETP
SCHEMBL6699961 0.81 REN (0.41)
SCHEMBL6703766 0.81 CTSD (0.45) CCR2CTSDBACE1
SCHEMBL6699259 0.81 BACE1 (0.47) CTSDBACE1
SCHEMBL6649972 0.80 GRIA1 (0.43) CTSDBACE1
SCHEMBL3349319 0.80 BACE1 (0.41) CCR2CTSDBACE1
SCHEMBL3356712 0.80 BACE1 (0.41) CCR2CTSDBACE1
SCHEMBL6703417 0.79 BACE1 (0.41) CTSDBACE1
SCHEMBL6703702 0.79 BACE1 (0.41) CTSDBACE1
SCHEMBL3356682 0.79 BACE1 (0.39) CCR2CTSDBACE1

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 MEN1 2250/4885KMT2A 3899/4885CCR2 3135/4885

“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.