SCHEMBL4065787

SCHEMBL4065787

CNC(=O)[C@H](CCC(C)C)C[C@H](O)[C@@H](N)Cc1ccc(OC(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.42
ACACB O00763 2/20 0.41
REN P00797 1/20 0.40
LAP3 P28838 3/20 0.38
ANPEP P15144 1/20 0.38
RNPEP Q9H4A4 1/20 0.38
DNPEP Q9ULA0 1/20 0.38
MMP3 P08254 5/20 0.38
MMP1 P03956 5/20 0.38
MMP2 P08253 3/20 0.38
MMP9 P14780 2/20 0.38
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
MMP7 P09237 1/20 0.37
MMP8 P22894 1/20 0.37
MMP13 P45452 1/20 0.37
ADAM17 P78536 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
SCHEMBL4072384 0.82 CCR1 (0.46) CCR1ACACBRENLAP3ANPEP
SCHEMBL4069710 0.79 MMP1 (0.56) CCR1MMP3MMP1MMP2MMP9
SCHEMBL4062864 0.77 CCR1 (0.44) CCR1RENLAP3ANPEPRNPEP
SCHEMBL4063348 0.76 CCR1 (0.54) CCR1ANPEPMMP3MMP1MMP2
SCHEMBL4058892 0.75 CCR1 (0.53) CCR1MMP1
SCHEMBL7591101 0.75 CCR1 (0.53) CCR1MMP1
SCHEMBL4065207 0.74 CCR1 (0.45) CCR1MMP1
SCHEMBL4066989 0.74 REN (0.62) CCR1RENLAP3MMP9MMP8
SCHEMBL4068036 0.74 REN (0.62) CCR1RENLAP3MMP9MMP8
SCHEMBL4065786 0.72 MMP3 (0.36) ACACBMMP3LMNAPOLB

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 21/4885ACACB 1679/4885REN 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.