SCHEMBL4062864

SCHEMBL4062864

CNC(=O)[C@H](CCC(C)C)C[C@H](O)[C@@H](N)Cc1cccc(F)c1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 5/20 0.44
SLC1A1 P43005 2/20 0.42
LAP3 P28838 3/20 0.41
ANPEP P15144 2/20 0.41
RNPEP Q9H4A4 1/20 0.41
DNPEP Q9ULA0 1/20 0.41
REN P00797 1/20 0.40
ROCK2 O75116 1/20 0.38
CHRM2 P08172 1/20 0.38
CCR5 P51681 1/20 0.38

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
SCHEMBL4070006 0.88 CCR1 (0.45) CCR1SLC1A1LAP3ANPEPRNPEP
SCHEMBL4072384 0.79 CCR1 (0.46) CCR1LAP3ANPEPRNPEPDNPEP
SCHEMBL4070042 0.78 CCR1 (0.48) CCR1SLC1A1ANPEPRENCHRM2
SCHEMBL4065787 0.77 CCR1 (0.42) CCR1LAP3ANPEPRNPEPDNPEP
SCHEMBL4063348 0.77 CCR1 (0.54) CCR1ANPEP
SCHEMBL4071586 0.76 REN (0.42) CCR1LAP3ANPEPRNPEPDNPEP
SCHEMBL4072541 0.76 CTSD (0.43) REN
SCHEMBL8893128 0.76 SLC1A1 (0.54) SLC1A1ANPEPRNPEPDNPEP
SCHEMBL8893130 0.76 SLC1A1 (0.54) SLC1A1ANPEPRNPEPDNPEP
SCHEMBL4064868 0.75 SLC1A1 (0.50) CCR1SLC1A1CHRM2CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0966443-B1 HETEROARYL-HEXANOIC ACID AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS SELECTIVE INHIBITORS OF MIP-1-ALPHA BINDING TO ITS CCR1 RECEPTOR PFIZER (US) 2009-01-28 EP disclosed
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 CCR1 21/4885SLC1A1 1741/4885LAP3 3585/4885

“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.