SCHEMBL4068003

SCHEMBL4068003

CC(C)(F)CC[C@H](C[C@H](O)[C@@H](N)Cc1ccccc1)C(=O)NCc1ccncc1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 5/20 0.58
ALDH1A1 P00352 1/20 0.54
CYP3A4 P08684 1/20 0.54
BACE1 P56817 10/20 0.45
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
GAA P10253 1/20 0.43
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42

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 0.94 CCR1 (0.61) CCR1ALDH1A1CYP3A4MMP8
SCHEMBL6675017 0.94 CCR1 (0.61) CCR1ALDH1A1CYP3A4MMP8
SCHEMBL4067803 0.91 CCR1 (0.56) CCR1ALDH1A1CYP3A4LMNAMAPT
SCHEMBL4071571 0.91 CCR1 (0.49) CCR1ALDH1A1CYP3A4
SCHEMBL4071980 0.87 CCR1 (0.54) CCR1GAA
SCHEMBL4067751 0.87 TSHR (0.55) CCR1ALDH1A1MAPT
SCHEMBL4064741 0.85 CCR1 (0.50) CCR1LMNAMAPT
SCHEMBL4062733 0.84 CCR1 (0.51) CCR1ALDH1A1GAAMAPTMAPK1
SCHEMBL4064275 0.84 CCR1 (0.58) CCR1
SCHEMBL4064045 0.84 CCR1 (0.61) CCR1MAPT

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 169/4885CYP3A4 1637/4885

“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.