SCHEMBL4059062

SCHEMBL4059062

NC(=O)C(CC(O)C(N)Cc1ccc(OC(F)(F)F)cc1)C1CCC(F)(F)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.45
EPHX1 P07099 4/20 0.40
KCNH2 Q12809 2/20 0.38
SCN5A Q14524 1/20 0.38
SCN9A Q15858 1/20 0.38
DPP4 P27487 2/20 0.36
ACACB O00763 1/20 0.36
PTPN1 P18031 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
CYP3A4 P08684 1/20 0.36
UGCG Q16739 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.35
SLC6A4 P31645 2/20 0.35
REN P00797 1/20 0.35
EPHX2 P34913 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A3 Q01959 1/20 0.34
GRIK1 P39086 1/20 0.34
GRIK2 Q13002 1/20 0.34
HTR2C P28335 1/20 0.34

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
SCHEMBL4073007 0.89 CCR1 (0.46) CCR1EPHX1KCNH2SCN5ASCN9A
SCHEMBL4248292 0.89 EPHX1 (0.50) CCR1EPHX1SCN9ADPP4
SCHEMBL4068819 0.85 CCR1 (0.49) CCR1DPP4DPP7
SCHEMBL4065521 0.84 CCR1 (0.58) CCR1EPHX1DPP4REN
SCHEMBL7591518 0.79 CCR1 (0.44) CCR1EPHX1DPP4
SCHEMBL4063649 0.78 CCR1 (0.45) CCR1DPP4
SCHEMBL4069503 0.78 CCR1 (0.48) CCR1DPP4DPP7
SCHEMBL4247412 0.77 CCR1 (0.51) CCR1DPP4
SCHEMBL4059574 0.77 EPHX1 (0.39) CCR1EPHX1ACACBPTPN1CYP3A4
SCHEMBL4070844 0.76 CCR1 (0.45) CCR1EPHX1DPP4DPP7REN

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 21/4885EPHX1 805/4885KCNH2 3386/4885

“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.