SCHEMBL4903591

SCHEMBL4903591

CC(CCN1CCCCC1)[C@](N)(C(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 5/20 0.35
ARG2 P78540 4/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
CYP1A2 P05177 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
THRB P10828 1/20 0.32
HTT P42858 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
SCHEMBL4911367 0.77 DGAT1 (0.32) MEN1KMT2AGAA
SCHEMBL4909430 0.76 DGAT1 (0.32) MEN1KMT2AGAA
SCHEMBL2550935 0.74 CTSK (0.36) ARG1ARG2CYP1A2MEN1KMT2A
SCHEMBL6429318 0.73 ARG1 (0.42) ARG1ARG2CYP1A2MAPK1SMN1; SMN2
SCHEMBL4743247 0.72 L3MBTL1 (0.40) ARG1ARG2L3MBTL1CYP1A2MAPK1
SCHEMBL9116850 0.71 DGAT1 (0.40) ARG1ARG2CYP1A2MEN1KMT2A
SCHEMBL4939145 0.71 DGAT1 (0.40) ARG1ARG2CYP1A2MEN1KMT2A
SCHEMBL28195825 0.71 DGAT1 (0.40) ARG1ARG2CYP1A2MEN1KMT2A
SCHEMBL21409064 0.70 CTSK (0.44) MAPK1
SCHEMBL21409067 0.70 CTSK (0.44) MAPK1

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-20080045522-A1 OMEGA-AMINOALKYLAMIDES OF R-2-ARYL-PROPIONIC ACIDS AS INHIBITORS OF THE CHEMOTAXIS OF POLYMORPHONUCLEATE AND MONONUCLEATE CELLS DOMPE PHA.R.MA S.P.A. (IT) 2008-02-21 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-20080045522-A1 OMEGA-AMINOALKYLAMIDES OF R-2-ARYL-PROPIONIC ACIDS AS INHIBITORS OF THE CHEMOTAXIS OF POLYMORPHONUCLEATE AND MONONUCLEATE CELLS C5AR2, C3AR1, C5AR1 ARG1 603/4885ARG2 318/4885NPSR1 1196/4885

“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.