SCHEMBL4064800

SCHEMBL4064800

CC(C)(F)CCC(CC(O)C(N)Cc1ccc(OC(F)(F)F)cc1)C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.44
EPHX1 P07099 2/20 0.43
ACACB O00763 1/20 0.39
PTPN1 P18031 1/20 0.39
EPHX2 P34913 3/20 0.39
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.39
SCN10A Q9Y5Y9 1/20 0.38
REN P00797 2/20 0.37
NR1H4 Q96RI1 1/20 0.36
HRH3 Q9Y5N1 2/20 0.36
GRIK1 P39086 1/20 0.36
GRIK2 Q13002 1/20 0.36
VNN1 O95497 1/20 0.36
CASR P41180 1/20 0.35

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
SCHEMBL4070742 0.89 CCR1 (0.46) CCR1EPHX1ACACBPTPN1EPHX2
SCHEMBL4068796 0.88 CCR1 (0.44) CCR1EPHX1RENVNN1
SCHEMBL4065303 0.86 CCR1 (0.47) CCR1REN
SCHEMBL4068828 0.86 CCR1 (0.47) CCR1REN
SCHEMBL4059066 0.85 CCR1 (0.46) CCR1REN
SCHEMBL6167499 0.85 CCR1 (0.57) CCR1REN
SCHEMBL4060244 0.83 EPHX1 (0.49) CCR1EPHX1PTPN1EPHX2PPARG
SCHEMBL4064479 0.80 CCR1 (0.42) CCR1RENVNN1
SCHEMBL4071147 0.80 CCR1 (0.43) CCR1EPHX1REN
SCHEMBL4062779 0.78 CCR1 (0.51) CCR1PPARGREN

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 805/4885ACACB 1679/4885

“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.