SCHEMBL7589901

SCHEMBL7589901

CC(C)CCNC(=O)[C@H](CC(C)C)C[C@H](O)C(N)Cc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LAP3 P28838 4/20 0.70
ANPEP P15144 3/20 0.70
DNPEP Q9ULA0 3/20 0.70
RNPEP Q9H4A4 2/20 0.70
REN P00797 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.47
CCR1 P32246 1/20 0.46
ERAP2 Q6P179 1/20 0.46
ERAP1 Q9NZ08 1/20 0.46
LNPEP Q9UIQ6 1/20 0.46

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
SCHEMBL7679505 1.00 LAP3 (0.70) LAP3ANPEPDNPEPRNPEPREN
SCHEMBL4071253 0.91 CYP3A4 (0.56) LAP3ANPEPDNPEPRNPEPREN
SCHEMBL12609439 0.82 LAP3 (1.00) LAP3ANPEPDNPEPRNPEPREN
SCHEMBL6832228 0.79 CCR1 (0.54) LAP3ANPEPDNPEPRNPEPCCR1
SCHEMBL7580246 0.79 CCR1 (0.54) LAP3ANPEPDNPEPRNPEPCCR1
SCHEMBL3210913 0.78 ANPEP (0.74) LAP3ANPEPDNPEPRNPEPL3MBTL1
SCHEMBL7299909 0.78 ANPEP (0.74) LAP3ANPEPDNPEPRNPEPL3MBTL1
SCHEMBL3210919 0.78 ANPEP (0.74) LAP3ANPEPDNPEPRNPEPL3MBTL1
SCHEMBL4043571 0.76 REN (0.63) LAP3ANPEPDNPEPRNPEPREN
SCHEMBL4068036 0.76 REN (0.62) LAP3RENCCR1ERAP2ERAP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020198207-A1 Novel Hexanoic acid derivatives KATH JOHN CHARLES (US) 2002-12-26 US disclosed
US-6403587-B1 AUTOIMMUNE DISEASES, ACUTE AND CHRONIC INFLAMMATORY CONDITIONS, ALLERGIC CONDITIONS, INFECTION ASSOCIATED WITH INFLAMMATION, VIRAL, TRANSPLANTATION TISSUE REJECTION, ATHEROSCLEROSIS, RESTENOSIS, HIV INFECTIVITY, AND PFIZER INC. 2002-06-11 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-20020198207-A1 Novel Hexanoic acid derivatives HCAR3, HCAR1, FFAR1 LAP3 3585/4885ANPEP 4623/4885DNPEP 4166/4885

“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.