SCHEMBL4070225

SCHEMBL4070225

NC(=O)C(CC(O)C(N)Cc1cccc(F)c1)C1(O)CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.46
SLC1A1 P43005 2/20 0.44
DPP4 P27487 5/20 0.39
DPP7 Q9UHL4 3/20 0.39
DPP8 Q6V1X1 3/20 0.37
DPP9 Q86TI2 3/20 0.37
BACE1 P56817 1/20 0.36
FAP Q12884 1/20 0.36
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
SLC6A2 P23975 4/20 0.35
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.35
ROCK1 Q13464 1/20 0.35

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
SCHEMBL4065574 0.87 CCR1 (0.56) CCR1SLC1A1
SCHEMBL6836076 0.87 CCR1 (0.56) CCR1SLC1A1
SCHEMBL4059666 0.87 CCR1 (0.56) CCR1SLC1A1
SCHEMBL7581508 0.87 CCR1 (0.56) CCR1SLC1A1
SCHEMBL4063723 0.86 CCR1 (0.54) CCR1SLC1A1
SCHEMBL4062212 0.80 CCR1 (0.45) CCR1DPP4DPP7DPP8DPP9
SCHEMBL4061000 0.78 CCR1 (0.48) CCR1SLC1A1
SCHEMBL4069510 0.78 CCR1 (0.57) CCR1SLC1A1
SCHEMBL7581428 0.78 CCR1 (0.57) CCR1SLC1A1
SCHEMBL4063105 0.77 ANPEP (0.40) SLC1A1DPP4DPP7DPP8DPP9

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 5 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
EP-0966443-A1 HETEROARYL-HEXANOIC ACID AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS SELECTIVE INHIBITORS OF MIP-1-ALPHA BINDING TO ITS CCR1 RECEPTOR PFIZER INC. (US) 1999-12-29 EP disclosed
WO-1998038167-A1 HETEROARYL-HEXANOIC ACID AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS SELECTIVE INHIBITORS OF MIP-1-ALPHA BINDING TO ITS CCR1 RECEPTOR PFIZER INC. (US) 1998-09-03 WO 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 1741/4885DPP4 1477/4885

“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.