SCHEMBL4066248

SCHEMBL4066248

CC(C)(F)CCC(CC(O)C(N)Cc1ccccc1OC(F)(F)F)C(=O)NO

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 5/20 0.45
VNN1 O95497 1/20 0.40
PPARG P37231 2/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
EPHX2 P34913 1/20 0.36
SCN9A Q15858 6/20 0.35
LNPEP Q9UIQ6 1/20 0.35
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
CYP2D6 P10635 1/20 0.34
KCNH2 Q12809 1/20 0.34
REN P00797 1/20 0.34
CACNA1C Q13936 2/20 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
SCHEMBL4068183 0.86 CCR1 (0.47) CCR1VNN1REN
SCHEMBL4064275 0.82 CCR1 (0.58) CCR1HDAC3HDAC1HDAC2HDAC6
SCHEMBL6832278 0.82 CCR1 (0.58) CCR1HDAC3HDAC1HDAC2HDAC6
SCHEMBL4070742 0.82 CCR1 (0.46) CCR1VNN1PPARGEPHX2REN
Hydroxyamine SCHEMBL6688642 0.81 CCR1 (0.57) CCR1HDAC3HDAC1HDAC2HDAC6
SCHEMBL4061962 0.79 CCR1 (0.49) CCR1CYP2D6KCNH2REN
SCHEMBL4060779 0.78 CCR1 (0.50) CCR1HDAC1HDAC6GRIN1GRIN2B
SCHEMBL2675110 0.78 CCR1 (0.51) CCR1VNN1REN
SCHEMBL4066476 0.77 CCR1 (0.45) CCR1REN
SCHEMBL4070042 0.76 CCR1 (0.48) CCR1REN

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 21/4885VNN1 3540/4885PPARG 451/4885

“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.