SCHEMBL4068276

SCHEMBL4068276

NC(=O)C(CC(O)C(N)Cc1ccccc1F)C1CCC(F)(F)CC1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 7/20 0.47
DPP4 P27487 10/20 0.36
DPP8 Q6V1X1 2/20 0.36
DPP9 Q86TI2 2/20 0.36
FAP Q12884 1/20 0.36
DPP7 Q9UHL4 3/20 0.35
EPHX1 P07099 1/20 0.34
SCN3A Q9NY46 1/20 0.33

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
SCHEMBL4065521 0.85 CCR1 (0.58) CCR1DPP4EPHX1
SCHEMBL4068819 0.82 CCR1 (0.49) CCR1DPP4DPP8DPP9FAP
SCHEMBL4069503 0.81 CCR1 (0.48) CCR1DPP4DPP8DPP9FAP
SCHEMBL7591518 0.80 CCR1 (0.44) CCR1DPP4EPHX1
SCHEMBL4060521 0.80 CCR1 (0.47) CCR1DPP4DPP8DPP9FAP
SCHEMBL4069487 0.80 CCR1 (0.45) CCR1DPP4DPP8DPP9
SCHEMBL4247412 0.78 CCR1 (0.51) CCR1DPP4DPP8DPP9
SCHEMBL4063649 0.77 CCR1 (0.45) CCR1DPP4DPP8DPP9
SCHEMBL4068352 0.76 C3AR1 (0.40) CCR1DPP4DPP8DPP9FAP
SCHEMBL4059062 0.75 CCR1 (0.45) CCR1DPP4DPP7EPHX1

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 21/4885DPP4 1477/4885DPP8 1726/4885

“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.