SCHEMBL4070040

SCHEMBL4070040

CC(F)(CCC(CC(O)[CH]Cc1cccc(F)c1)C(=O)NO)C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.39
VNN1 O95497 1/20 0.37
CCR1 P32246 3/20 0.37
CHRM2 P08172 1/20 0.37
CCR5 P51681 1/20 0.37
HDAC4 P56524 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
MMP1 P03956 1/20 0.33
MMP13 P45452 1/20 0.33
NR3C2 P08235 1/20 0.33
FCER2 P06734 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
SCHEMBL2675451 0.90 CCR1 (0.42) VNN1CCR1CHRM2CCR5NR3C2
SCHEMBL4072277 0.90 FCER2 (0.32) CCR1MMP1FCER2
SCHEMBL6832277 0.89 CCR1 (0.41) CCR1HDAC4HDAC7HDAC5
SCHEMBL4064274 0.89 CCR1 (0.41) CCR1HDAC4HDAC7HDAC5
SCHEMBL4061961 0.88 CYP2D6 (0.40) ANPEPMMP1
SCHEMBL6165913 0.83 CCR1 (0.34) VNN1CCR1CHRM2CCR5
SCHEMBL4068181 0.82 CCR1 (0.36) VNN1CCR1HDAC4HDAC7HDAC5
SCHEMBL4062768 0.82 FCER2 (0.32) CCR1CHRM2CCR5MMP1FCER2
SCHEMBL2675741 0.82 CCR1 (0.44) VNN1CCR1CHRM2CCR5
SCHEMBL3825742 0.82 CCR1 (0.44) VNN1CCR1CHRM2CCR5

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 ANPEP 4623/4885VNN1 3540/4885CCR1 21/4885

“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.