SCHEMBL4065301

SCHEMBL4065301

CC(F)(CCC(CC(O)[CH]Cc1ccc(F)cc1)C(N)=O)C(N)=O

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.33
CCR1 P32246 4/20 0.33
CHRM2 P08172 1/20 0.32
CCR5 P51681 1/20 0.32
VNN1 O95497 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
HPGD P15428 1/20 0.30
TRPA1 O75762 1/20 0.30
KCNN4 O15554 1/20 0.30
MMP1 P03956 1/20 0.30
CYP2D6 P10635 1/20 0.30
MMP9 P14780 1/20 0.30
MMP12 P39900 1/20 0.30
KCNH2 Q12809 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
SCHEMBL4068827 1.00 EPHX1 (0.33) EPHX1CCR1CHRM2CCR5VNN1
SCHEMBL4059064 0.91 CCR1 (0.33) CCR1
SCHEMBL6167494 0.90 CCR1 (0.40) EPHX1CCR1CHRM2CCR5
SCHEMBL4061961 0.89 CYP2D6 (0.40) MMP1CYP2D6MMP9MMP12KCNH2
SCHEMBL4060626 0.89 MMP3 (0.38) CCR1VNN1CNR1CNR2MMP1
SCHEMBL4071145 0.89 CCR1 (0.34) CCR1CHRM2CCR5
SCHEMBL4064796 0.87 EPHX1 (0.44) EPHX1VNN1HPGD
SCHEMBL2675451 0.87 CCR1 (0.42) CCR1CHRM2CCR5VNN1KCNN4
SCHEMBL4064473 0.85 VNN1 (0.34) CCR1VNN1KCNH2
SCHEMBL4069920 0.82 CCR1 (0.37) 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 EPHX1 805/4885CCR1 21/4885CHRM2 1831/4885

“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.