SCHEMBL4064286

SCHEMBL4064286

COc1ccccc1CNC(=O)[C@H](CCC(C)(C)F)C[C@H](O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 5/20 0.49
ALDH1A1 P00352 3/20 0.49
TSHR P16473 2/20 0.49
GAA P10253 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ITGA4 P13612 1/20 0.45
ITGB7 P26010 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
POLB P06746 1/20 0.44
PPARA Q07869 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 1/20 0.43
BCHE P06276 1/20 0.43

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
SCHEMBL4069026 0.93 CCR1 (0.47) CCR1ALDH1A1TSHRGAAMEN1
SCHEMBL4059784 0.88 CCR1 (0.50) CCR1TSHRGAARAB9A
SCHEMBL7591156 0.88 CCR1 (0.61) CCR1ALDH1A1
SCHEMBL6675017 0.88 CCR1 (0.61) CCR1ALDH1A1
SCHEMBL4071980 0.86 CCR1 (0.54) CCR1GAAKMT2ANPC1RAB9A
SCHEMBL4068540 0.85 CCR1 (0.51) CCR1ALDH1A1MEN1KMT2ARAB9A
SCHEMBL4058792 0.84 CTSD (0.44) CCR1POLB
SCHEMBL4066974 0.84 CCR1 (0.49) CCR1
SCHEMBL4058726 0.83 CCR1 (0.50) CCR1
SCHEMBL4071630 0.83 CTSD (0.51) ALDH1A1NPC1RAB9AHPGD

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 21/4885ALDH1A1 169/4885TSHR 1211/4885

“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.