SCHEMBL4071980

SCHEMBL4071980

COc1ccc(CNC(=O)[C@H](CCC(C)(C)F)C[C@H](O)[C@@H](N)Cc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 5/20 0.54
REN P00797 1/20 0.46
NPC1 O15118 2/20 0.43
GAA P10253 1/20 0.42
PPARG P37231 1/20 0.42
CTSD P07339 1/20 0.42
CASR P41180 1/20 0.41
MMP1 P03956 1/20 0.41
RAB9A P51151 1/20 0.41
MMP3 P08254 1/20 0.41
LTA4H P09960 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL7591156 0.92 CCR1 (0.61) CCR1REN
SCHEMBL6675017 0.92 CCR1 (0.61) CCR1REN
SCHEMBL4068540 0.91 CCR1 (0.51) CCR1CTSDRAB9AKMT2A
SCHEMBL4059784 0.88 CCR1 (0.50) CCR1RENGAACTSDRAB9A
SCHEMBL4068003 0.87 CCR1 (0.58) CCR1GAA
SCHEMBL4064286 0.86 CCR1 (0.49) CCR1NPC1GAARAB9AKMT2A
SCHEMBL4066448 0.85 REN (0.45) CCR1RENKMT2A
SCHEMBL4066974 0.85 CCR1 (0.49) CCR1REN
SCHEMBL4058726 0.84 CCR1 (0.50) CCR1RENLTA4H
SCHEMBL4067803 0.83 CCR1 (0.56) CCR1KMT2A

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 21/4885REN 1314/4885NPC1 3846/4885

“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.