SCHEMBL4068618

SCHEMBL4068618

NC(=O)[C@@H](C[C@H](O)[C@@H](N)Cc1ccccc1)C1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 8/20 0.55
EPHX1 P07099 4/20 0.42
SLC15A1 P46059 1/20 0.42
CSNK1E P49674 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALPI P09923 1/20 0.40
PKM P14618 1/20 0.40
PTGS1 P23219 1/20 0.40
XIAP P98170 1/20 0.40
SLC7A5 Q01650 1/20 0.40
MMP1 P03956 1/20 0.39
FCER2 P06734 1/20 0.39
DPP4 P27487 1/20 0.39

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
SCHEMBL7586283 0.99 CCR1 (0.56) CCR1EPHX1SLC15A1CSNK1ETDP1
SCHEMBL2675154 0.99 CCR1 (0.56) CCR1EPHX1SLC15A1CSNK1ETDP1
SCHEMBL4067461 0.99 CCR1 (0.56) CCR1EPHX1SLC15A1CSNK1ETDP1
SCHEMBL6687785 0.99 CCR1 (0.56) CCR1EPHX1SLC15A1CSNK1ETDP1
SCHEMBL27586171 0.99 CCR1 (0.56) CCR1EPHX1SLC15A1CSNK1ETDP1
SCHEMBL4072849 0.89 CCR1 (0.57) CCR1EPHX1SLC15A1CSNK1EALPI
SCHEMBL4061506 0.89 LMNA (0.46) CCR1EPHX1SLC15A1CSNK1ETDP1
SCHEMBL4065521 0.87 CCR1 (0.58) CCR1EPHX1SLC15A1CSNK1EALPI
SCHEMBL4066052 0.86 CCR1 (0.42) CCR1EPHX1SLC15A1CSNK1EALPI
SCHEMBL4065263 0.84 CCR1 (0.46) CCR1EPHX1SLC15A1CSNK1EALPI

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 21/4885EPHX1 805/4885SLC15A1 2584/4885

“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.