SCHEMBL4063935

SCHEMBL4063935

CCCC1CCC(O)([C@H](C[C@H](O)[C@@H](N)Cc2ccccc2)C(N)=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.42
CCR1 P32246 4/20 0.41
REN P00797 5/20 0.38
BCHE P06276 1/20 0.35
SLC15A1 P46059 1/20 0.35
LAP3 P28838 2/20 0.34
CYP2C9 P11712 1/20 0.34
ANPEP P15144 1/20 0.34
RNPEP Q9H4A4 1/20 0.34
DNPEP Q9ULA0 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
EPHX1 P07099 1/20 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
SCHEMBL4065396 0.90 REN (0.41) CSNK1ECCR1RENBCHELAP3
SCHEMBL7581844 0.87 CCR1 (0.43) CSNK1ECCR1RENSLC15A1LAP3
SCHEMBL4065716 0.87 CCR1 (0.43) CSNK1ECCR1RENSLC15A1LAP3
SCHEMBL4060231 0.84 CCR1 (0.42) CSNK1ECCR1RENSLC15A1LAP3
SCHEMBL4066915 0.84 CCR1 (0.42) CSNK1ECCR1RENSLC15A1ANPEP
SCHEMBL4063723 0.83 CCR1 (0.54) CSNK1ECCR1RENSLC15A1LAP3
SCHEMBL4061000 0.82 CCR1 (0.48) CSNK1ECCR1RENSLC15A1LAP3
SCHEMBL6836076 0.82 CCR1 (0.56) CSNK1ECCR1RENSLC15A1LAP3
SCHEMBL4059666 0.82 CCR1 (0.56) CSNK1ECCR1RENSLC15A1LAP3
SCHEMBL7581508 0.82 CCR1 (0.56) CSNK1ECCR1RENSLC15A1LAP3

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 CSNK1E 3498/4885CCR1 21/4885REN 1314/4885

“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.