SCHEMBL4063900

SCHEMBL4063900

CC1CCC(O)(C(CC(O)C(N)Cc2ccc(F)cc2)C(N)=O)CC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.37
CPA1 P15085 1/20 0.35
DPP4 P27487 7/20 0.34
TRPA1 O75762 2/20 0.34
DPP7 Q9UHL4 4/20 0.33
DPP9 Q86TI2 4/20 0.33
DPP8 Q6V1X1 3/20 0.33
ALDH1A1 P00352 2/20 0.33
FAP Q12884 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
GAA P10253 1/20 0.32
MAPK1 P28482 1/20 0.32
EPHX1 P07099 1/20 0.32
GPR88 Q9GZN0 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
SCHEMBL7581844 0.90 CCR1 (0.43) CCR1GAAEPHX1
SCHEMBL4065716 0.90 CCR1 (0.43) CCR1GAAEPHX1
SCHEMBL4248926 0.89 EPHX1 (0.37) CCR1DPP4EPHX1
SCHEMBL4064242 0.89 ANPEP (0.36) CPA1DPP4TRPA1ALDH1A1KDM4E
SCHEMBL4059574 0.86 EPHX1 (0.39) CCR1EPHX1GPR88
SCHEMBL4060231 0.85 CCR1 (0.42) CCR1GAAEPHX1
SCHEMBL4061055 0.83 SLC1A3 (0.36) CCR1DPP4DPP9DPP8GPR88
SCHEMBL4064706 0.81 CCR1 (0.40) CCR1DPP4ALDH1A1KDM4E
SCHEMBL7583317 0.79 CYP2C19 (0.37) CCR1DPP4DPP7DPP9DPP8
SCHEMBL4062026 0.79 EPHX1 (0.46) DPP4EPHX1

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 21/4885CPA1 1416/4885DPP4 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.