SCHEMBL4067877

SCHEMBL4067877

NC(=O)CC1CCC(O)([C@H](CC(O)[CH]Cc2ccccc2)C(N)=O)CC1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.35
LTA4H P09960 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
DGAT1 O75907 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
LTB4R Q15722 2/20 0.31
LTB4R2 Q9NPC1 1/20 0.30
EPHX2 P34913 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
SCHEMBL4063930 0.90 CCR1 (0.34) CCR1LTB4R
SCHEMBL7581837 0.86 SMN1; SMN2 (0.37) CCR1LTA4HNPC1RAB9ALTB4R
SCHEMBL4065712 0.86 SMN1; SMN2 (0.37) CCR1LTA4HNPC1RAB9ALTB4R
SCHEMBL4060331 0.84 CCR1 (0.35) CCR1LTA4HLTB4RLTB4R2
SCHEMBL4065393 0.80 KLK7 (0.35) CCR1
SCHEMBL4060997 0.80 CCR1 (0.38) CCR1
SCHEMBL4068616 0.78 CCR1 (0.35) CCR1NPC1RAB9A
SCHEMBL4063721 0.78 LTB4R (0.36) CCR1LTB4RLTB4R2
SCHEMBL4065572 0.77 CCR1 (0.34) CCR1LTB4RLTB4R2
SCHEMBL6836075 0.77 CCR1 (0.34) CCR1LTB4RLTB4R2

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 5 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
EP-0966443-A1 HETEROARYL-HEXANOIC ACID AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS SELECTIVE INHIBITORS OF MIP-1-ALPHA BINDING TO ITS CCR1 RECEPTOR PFIZER INC. (US) 1999-12-29 EP disclosed
WO-1998038167-A1 HETEROARYL-HEXANOIC ACID AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS SELECTIVE INHIBITORS OF MIP-1-ALPHA BINDING TO ITS CCR1 RECEPTOR PFIZER INC. (US) 1998-09-03 WO 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 21/4885LTA4H 347/4885FFAR4 11/4885

“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.