SCHEMBL4065716

SCHEMBL4065716

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.43
CSNK1E P49674 1/20 0.40
SLC15A1 P46059 1/20 0.38
GAA P10253 1/20 0.38
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
LAP3 P28838 2/20 0.36
REN P00797 2/20 0.36
ANPEP P15144 2/20 0.36
RNPEP Q9H4A4 1/20 0.36
DNPEP Q9ULA0 1/20 0.36
EPHX1 P07099 1/20 0.36
TACR1 P25103 1/20 0.35
ALPI P09923 1/20 0.35
PKM P14618 1/20 0.35
PTGS1 P23219 1/20 0.35
XIAP P98170 1/20 0.35
SLC7A5 Q01650 1/20 0.35

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
SCHEMBL7581844 1.00 CCR1 (0.43) CCR1CSNK1ESLC15A1GAALMNA
SCHEMBL4060231 0.94 CCR1 (0.42) CCR1CSNK1ESLC15A1GAALMNA
SCHEMBL4063900 0.90 CCR1 (0.37) CCR1GAAEPHX1
SCHEMBL4064706 0.88 CCR1 (0.40) CCR1ANPEP
SCHEMBL2675968 0.88 MMP1 (0.40) CCR1CSNK1ESLC15A1GAALMNA
SCHEMBL7590174 0.88 MMP1 (0.40) CCR1CSNK1ESLC15A1GAALMNA
SCHEMBL4061956 0.87 CCR1 (0.41) CCR1CSNK1ESLC15A1LAP3REN
SCHEMBL4063935 0.87 CSNK1E (0.42) CCR1CSNK1ESLC15A1CYP2C9LAP3
SCHEMBL4063723 0.87 CCR1 (0.54) CCR1CSNK1ESLC15A1LAP3REN
SCHEMBL7583317 0.86 CYP2C19 (0.37) CCR1CYP2C9CYP2C19RENEPHX1

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 4 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
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 21/4885CSNK1E 3498/4885SLC15A1 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.