SCHEMBL4069502

SCHEMBL4069502

NC(=O)c1c(F)cccc1C[CH]C(O)CC(C(N)=O)C1CCC(F)(F)CC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.38
P2RX7 Q99572 6/20 0.35
PARP1 P09874 2/20 0.34
EPHX1 P07099 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
IDO1 P14902 1/20 0.32
CSNK1E P49674 2/20 0.30
CSNK1D P48730 1/20 0.30

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
SCHEMBL4068274 0.87 CCR1 (0.38) CCR1P2RX7PARP1
SCHEMBL4248290 0.85 CCR1 (0.35) CCR1EPHX1
SCHEMBL4247410 0.83 CCR1 (0.41) CCR1P2RX7
SCHEMBL4068817 0.80 CCR1 (0.36) CCR1PARP1CYP2D6
SCHEMBL4063644 0.80 CCR1 (0.37) CCR1IDO1
SCHEMBL4069485 0.76 CCR1 (0.39) CCR1IDO1
SCHEMBL4059059 0.74 FFAR4 (0.35) CCR1P2RX7EPHX1
SCHEMBL4068276 0.73 CCR1 (0.47) CCR1EPHX1
SCHEMBL4070843 0.72 CCR1 (0.39) CCR1EPHX1
SCHEMBL4065198 0.72 CCR1 (0.38) CCR1

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 21/4885P2RX7 537/4885PARP1 4529/4885

“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.