SCHEMBL20100659

SCHEMBL20100659

CCCCCCCCCC(C(=O)N[C@@H](CCC(=O)C(C)(C)C)C(=O)O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 7/20 0.41
CCR2 P41597 1/20 0.38
MME P08473 3/20 0.37
ACE P12821 3/20 0.37
SLC6A5 Q9Y345 1/20 0.35
CPA1 P15085 1/20 0.35
ACE2 Q9BYF1 1/20 0.35
MMP2 P08253 5/20 0.34
MMP3 P08254 1/20 0.34
MMP1 P03956 2/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33

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
SCHEMBL20126948 0.94 NOD1 (0.38) NOD1CCR2MMEACESLC6A5
SCHEMBL20100663 0.90 ACE (0.43) NOD1CCR2MMEACECPA1
SCHEMBL20100662 0.84 ACE (0.38) NOD1MMEACEMMP2MMP3
SCHEMBL20100656 0.83 FOLH1 (0.43) NOD1MMEACE
SCHEMBL20126949 0.82 MME (0.41) NOD1MMEACEMMP2MMP3
SCHEMBL20126950 0.80 NOD1 (0.38) NOD1MMEACESLC6A5MMP2
SCHEMBL29604034 0.78 AKR1C3 (0.46) CCR2ACE2AKR1C3AKR1C2
SCHEMBL24796368 0.73 NOD1 (0.73) NOD1SLC6A5
SCHEMBL19273454 0.73 NOD1 (0.73) NOD1SLC6A5
SCHEMBL31017279 0.72 EPHX1 (0.45) CCR2AKR1C3AKR1C2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11767354-B2 Antibody-coupled cyclic peptide tyrosine tyrosine compounds as modulators of neuropeptide Y receptors JANSSEN PHARMACEUTICA NV (BE) 2023-09-26 US disclosed
US-20180117170-A1 ANTIBODY-COUPLED CYCLIC PEPTIDE TYROSINE TYROSINE COMPOUNDS AS MODULATORS OF NEUROPEPTIDE Y RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-03 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 (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-20180117170-A1 ANTIBODY-COUPLED CYCLIC PEPTIDE TYROSINE TYROSINE COMPOUNDS AS MODULATORS OF NEUROPEPTIDE Y RECEPTORS NPY1R, NPY5R, NPY2R NOD1 1373/4885CCR2 465/4885MME 432/4885
US-11767354-B2 Antibody-coupled cyclic peptide tyrosine tyrosine compounds as modulators of neuropeptide Y receptors NPY1R, NPY5R, NPY2R NOD1 1373/4885CCR2 465/4885MME 432/4885

“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.