SCHEMBL4060776

SCHEMBL4060776

CC(F)(CCC(CC(O)[CH]Cc1ccccn1)C(=O)NO)C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.37
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MMP1 P03956 2/20 0.32
MMP3 P08254 2/20 0.32
MMP2 P08253 1/20 0.32
MMP7 P09237 1/20 0.32
MMP9 P14780 1/20 0.32
HDAC6 Q9UBN7 4/20 0.32
HDAC1 Q13547 2/20 0.32
PTPRA P18433 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL6832277 0.85 CCR1 (0.41) CCR1TSHRHDAC6HDAC1
SCHEMBL4067750 0.84 TSHR (0.48) CCR1CYP1A2CYP2D6MAPTTSHR
SCHEMBL4068596 0.83 KMT2A (0.44) CYP1A2CYP2D6MAPTTSHRSMN1; SMN2
SCHEMBL4071795 0.83 KMT2A (0.44) CYP1A2CYP2D6MAPTTSHRSMN1; SMN2
SCHEMBL4061961 0.80 CYP2D6 (0.40) CYP2D6MMP1MMP3MMP9
SCHEMBL4066245 0.79 VNN1 (0.40) CCR1HDAC6HDAC1
SCHEMBL4070040 0.79 ANPEP (0.39) CCR1MMP1
SCHEMBL4064042 0.77 CCR1 (0.43) CCR1MAPTMMP1MMP3MMP2
SCHEMBL2675794 0.76 CCR1 (0.40) CCR1TSHRMMP1MMP3MMP2
SCHEMBL6675011 0.75 CCR1 (0.43) CCR1HDAC6HDAC1

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 21/4885CYP1A2 1582/4885CYP2D6 419/4885

“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.