SCHEMBL4072923

SCHEMBL4072923

NC(Cc1ccc(F)cc1)C(O)CC(C(=O)NO)C1CCC(F)(F)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.50
ANPEP P15144 1/20 0.38
CPA1 P15085 1/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
DPP4 P27487 2/20 0.33
DPP7 Q9UHL4 2/20 0.33
FAP Q12884 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
CSK P41240 1/20 0.33
REN P00797 1/20 0.32
MC4R P32245 1/20 0.32
MC3R P41968 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 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
SCHEMBL3837106 0.90 CCR1 (0.60) CCR1ANPEPRENHDAC8
SCHEMBL4064301 0.89 CCR1 (0.46) CCR1ANPEPDPP4
SCHEMBL4068819 0.88 CCR1 (0.49) CCR1CPA1DPP4DPP7FAP
SCHEMBL4073007 0.86 CCR1 (0.46) CCR1DPP4DPP7REN
SCHEMBL4068389 0.85 CCR1 (0.46) CCR1DPP4DPP8DPP9HDAC8
SCHEMBL4069333 0.81 CCR1 (0.47) CCR1DPP4DPP7DPP8DPP9
SCHEMBL4060438 0.81 CCR1 (0.46) CCR1DPP4DPP8DPP9
SCHEMBL4072020 0.80 CCR1 (0.51) CCR1
SCHEMBL4072920 0.80 CCR1 (0.43) CCR1ANPEPNOS3NOS1NOS2
SCHEMBL4071311 0.79 CCR1 (0.45) CCR1HDAC3HDAC1HDAC2HDAC11

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 21/4885ANPEP 4623/4885CPA1 1416/4885

“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.