SCHEMBL4061972

SCHEMBL4061972

Cc1cccc(C[C@H](C[C@H](O)[C@@H](N)Cc2ccccc2)C(N)=O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 3/20 0.46
ERAP2 Q6P179 1/20 0.46
ERAP1 Q9NZ08 1/20 0.46
POLB P06746 1/20 0.46
SLC1A3 P43003 1/20 0.43
SLC1A2 P43004 1/20 0.43
SLC1A1 P43005 1/20 0.43
CSNK1E P49674 1/20 0.42
CCR1 P32246 1/20 0.42
TACR1 P25103 1/20 0.41
FOLH1 Q04609 1/20 0.40
SLC15A1 P46059 1/20 0.40
RNPEP Q9H4A4 1/20 0.40
DNPEP Q9ULA0 1/20 0.40
CYP1A2 P05177 1/20 0.40
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
APP P05067 1/20 0.39
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39

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
SCHEMBL4062972 0.88 SLC1A3 (0.53) ANPEPERAP2ERAP1POLBSLC1A3
SCHEMBL4063727 0.86 ANPEP (0.49) ANPEPERAP2ERAP1SLC1A3SLC1A2
SCHEMBL4064868 0.85 SLC1A1 (0.50) SLC1A3SLC1A2SLC1A1CSNK1ECCR1
SCHEMBL4071381 0.84 TAAR1 (0.50) POLBCYP1A2PPARA
SCHEMBL4070497 0.84 SLC1A3 (0.42) ANPEPERAP2ERAP1SLC1A3SLC1A2
SCHEMBL4070564 0.83 SLC7A5 (0.39) ANPEPERAP2ERAP1SLC1A3SLC1A2
SCHEMBL4063823 0.82 ERAP2 (0.48) ANPEPERAP2ERAP1SLC1A3SLC1A2
SCHEMBL4067774 0.81 SPPL2A (0.47) SLC1A3SLC1A2SLC1A1CSNK1ECCR1
SCHEMBL4063681 0.81 CSNK1E (0.43) ANPEPERAP2ERAP1SLC1A3SLC1A2
SCHEMBL4068169 0.81 SLC1A3 (0.46) ANPEPSLC1A3SLC1A2SLC1A1CSNK1E

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 ANPEP 4623/4885ERAP2 2860/4885ERAP1 2888/4885

“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.