SCHEMBL4059784

SCHEMBL4059784

COc1ccc(CNC(=O)[C@H](CCC(C)(C)F)C[C@H](O)[C@@H](N)Cc2ccccc2)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.50
CTSD P07339 14/20 0.49
KDM4E B2RXH2 1/20 0.48
CYP3A4 P08684 1/20 0.48
GAA P10253 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
RAB9A P51151 1/20 0.48
REN P00797 1/20 0.45

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
SCHEMBL4071630 0.92 CTSD (0.51) CTSDRAB9AREN
SCHEMBL4068540 0.89 CCR1 (0.51) CCR1CTSDKDM4ERAB9A
SCHEMBL4071980 0.88 CCR1 (0.54) CCR1CTSDGAARAB9AREN
SCHEMBL7591156 0.88 CCR1 (0.61) CCR1CYP3A4REN
SCHEMBL6675017 0.88 CCR1 (0.61) CCR1CYP3A4REN
SCHEMBL4064286 0.88 CCR1 (0.49) CCR1GAATSHRRAB9A
SCHEMBL4069026 0.84 CCR1 (0.47) CCR1CTSDKDM4EGAATSHR
SCHEMBL4068003 0.83 CCR1 (0.58) CCR1CYP3A4GAA
SCHEMBL4058792 0.82 CTSD (0.44) CCR1CTSDREN
SCHEMBL4066974 0.82 CCR1 (0.49) CCR1REN

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 21/4885CTSD 3667/4885KDM4E 1634/4885

“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.