SCHEMBL6832277

SCHEMBL6832277

CC(F)(CCC(CC(O)[CH]Cc1ccccc1)C(=O)NO)C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.41
HDAC8 Q9BY41 7/20 0.36
HDAC3 O15379 5/20 0.36
HDAC1 Q13547 4/20 0.36
HDAC6 Q9UBN7 4/20 0.36
TSHR P16473 1/20 0.36
MMP8 P22894 2/20 0.35
MME P08473 1/20 0.34
HDAC2 Q92769 3/20 0.34
HDAC4 P56524 2/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34

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
SCHEMBL4064274 1.00 CCR1 (0.41) CCR1HDAC8HDAC3HDAC1HDAC6
SCHEMBL4064042 0.92 CCR1 (0.43) CCR1
SCHEMBL6169667 0.92 CCR1 (0.43) CCR1
SCHEMBL4061961 0.91 CYP2D6 (0.40)
SCHEMBL2675794 0.90 CCR1 (0.40) CCR1HDAC8HDAC3HDAC1HDAC6
SCHEMBL6675011 0.90 CCR1 (0.43) CCR1HDAC3HDAC1HDAC6MMP8
SCHEMBL4058724 0.90 CCR1 (0.35) CCR1TSHR
SCHEMBL4070040 0.89 ANPEP (0.39) CCR1HDAC4HDAC7HDAC5
SCHEMBL6167494 0.89 CCR1 (0.40) CCR1
SCHEMBL6168510 0.88 CCR1 (0.34) CCR1TSHR

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
US-20040087571-A1 Methods of using CCR1 antagonists as immunomodulatory agents PFIZER INC 2004-05-06 US 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 (2 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-20040087571-A1 Methods of using CCR1 antagonists as immunomodulatory agents CCR1, CCR3, CCRL2 CCR1 1/4885HDAC8 769/4885HDAC3 205/4885
US-20020198207-A1 Novel Hexanoic acid derivatives HCAR3, HCAR1, FFAR1 CCR1 21/4885HDAC8 1260/4885HDAC3 289/4885

“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.