SCHEMBL4068540

SCHEMBL4068540

COc1cccc(CNC(=O)[C@H](CCC(C)(C)F)C[C@H](O)[C@@H](N)Cc2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 4/20 0.51
CTSD P07339 3/20 0.47
KDM4E B2RXH2 1/20 0.47
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
RAB9A P51151 1/20 0.46
APEX1 P27695 1/20 0.44
PPARA Q07869 1/20 0.44
ATM Q13315 1/20 0.44
POLB P06746 2/20 0.44
MMP13 P45452 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 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
SCHEMBL4071980 0.91 CCR1 (0.54) CCR1CTSDRAB9AKMT2A
SCHEMBL6675017 0.89 CCR1 (0.61) CCR1ALDH1A1
SCHEMBL7591156 0.89 CCR1 (0.61) CCR1ALDH1A1
SCHEMBL4059784 0.89 CCR1 (0.50) CCR1CTSDKDM4ERAB9A
SCHEMBL4066448 0.87 REN (0.45) CCR1ALDH1A1MEN1KMT2A
SCHEMBL4064286 0.85 CCR1 (0.49) CCR1ALDH1A1HPGDRAB9APPARA
SCHEMBL4069026 0.83 CCR1 (0.47) CCR1CTSDKDM4EALDH1A1RAB9A
SCHEMBL4068003 0.83 CCR1 (0.58) CCR1ALDH1A1
SCHEMBL4058792 0.83 CTSD (0.44) CCR1CTSDPOLB
SCHEMBL4066974 0.83 CCR1 (0.49) CCR1

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 21/4885CTSD 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.