SCHEMBL4063347

SCHEMBL4063347

CNC(=O)[C@H](CC(C)C(N)=O)C[C@@H](O)[CH]Cc1ccc(F)cc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.37
CNR1 P21554 3/20 0.35
CNR2 P34972 3/20 0.35
POLB P06746 1/20 0.34
MMP3 P08254 2/20 0.34
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
EPHX1 P07099 1/20 0.33
ANPEP P15144 1/20 0.33
HPGD P15428 1/20 0.33
ACE P12821 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
MMP2 P08253 1/20 0.32
KMT2A Q03164 1/20 0.32
DPP4 P27487 1/20 0.32

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
SCHEMBL4058890 0.89 CCR1 (0.36) CCR1GAAACEMMP2
SCHEMBL4065205 0.88 FFAR2 (0.37) POLBMMP3ACEHTTMMP2
SCHEMBL7688310 0.88 CCR1 (0.46) CCR1CNR1CNR2POLBMMP3
SCHEMBL4069707 0.86 MMP3 (0.42) CCR1MMP3MMP2
SCHEMBL4063155 0.83 SMN1; SMN2 (0.40) CCR1GAATSHRKMT2A
SCHEMBL4070252 0.82 CCR1 (0.43) CCR1GAAEPHX1MMP2KMT2A
SCHEMBL4066984 0.81 LTA4H (0.47) MMP3MMP2
SCHEMBL4072378 0.81 PLK1 (0.38) CCR1MMP3MMP2KMT2A
SCHEMBL4065786 0.80 MMP3 (0.36) POLBMMP3HTTKMT2A
SCHEMBL4062862 0.79 MAOB (0.38) CNR2MMP3ANPEPMMP2

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 21/4885CNR1 742/4885CNR2 955/4885

“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.