SCHEMBL20126948

SCHEMBL20126948

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

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 5/20 0.38
MME P08473 1/20 0.35
ACE P12821 1/20 0.35
PYGL P06737 1/20 0.35
CCR2 P41597 1/20 0.34
MMP2 P08253 10/20 0.34
MMP3 P08254 5/20 0.34
MMP1 P03956 4/20 0.33
SLC6A5 Q9Y345 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
SCHEMBL20100659 0.94 NOD1 (0.41) NOD1MMEACECCR2MMP2
SCHEMBL20100663 0.86 ACE (0.43) NOD1MMEACECCR2MMP2
SCHEMBL20126949 0.83 MME (0.41) NOD1MMEACEPYGLMMP2
SCHEMBL20100662 0.80 ACE (0.38) NOD1MMEACEMMP2MMP3
SCHEMBL20126950 0.80 NOD1 (0.38) NOD1MMEACEPYGLMMP2
SCHEMBL20100656 0.80 FOLH1 (0.43) NOD1MMEACE
SCHEMBL20100670 0.75 NOD1 (0.41) NOD1MMP2
SCHEMBL29604034 0.73 AKR1C3 (0.46) CCR2
SCHEMBL24796368 0.71 NOD1 (0.73) NOD1SLC6A5
SCHEMBL19273454 0.71 NOD1 (0.73) NOD1SLC6A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018208-A1 CYCLIC PEPTIDE TYROSINE TYROSINE COMPOUNDS AS MODULATORS OF NEUROPEPTIDE Y RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2024-01-18 US disclosed
US-20230365644-A1 ANTIBODY-COUPLED CYCLIC PEPTIDE TYROSINE TYROSINE COMPOUNDS AS MODULATORS OF NEUROPEPTIDE Y RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2023-11-16 US disclosed
US-11732019-B2 Cyclic peptide tyrosine tyrosine compounds as modulators of neuropeptide Y receptors JANSSEN PHARMACEUTICA NV (BE) 2023-08-22 US disclosed
US-20180127476-A1 CYCLIC PEPTIDE TYROSINE TYROSINE COMPOUNDS AS MODULATORS OF NEUROPEPTIDE Y RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-10 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 (4 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-20240018208-A1 CYCLIC PEPTIDE TYROSINE TYROSINE COMPOUNDS AS MODULATORS OF NEUROPEPTIDE Y RECEPTORS NPY4R, NPY5R, NPY1R NOD1 1513/4885MME 643/4885ACE 1894/4885
US-11732019-B2 Cyclic peptide tyrosine tyrosine compounds as modulators of neuropeptide Y receptors NPY4R, NPY5R, NPY1R NOD1 1513/4885MME 643/4885ACE 1894/4885
US-20180127476-A1 CYCLIC PEPTIDE TYROSINE TYROSINE COMPOUNDS AS MODULATORS OF NEUROPEPTIDE Y RECEPTORS NPY4R, NPY5R, NPY1R NOD1 1513/4885MME 643/4885ACE 1894/4885
US-20230365644-A1 ANTIBODY-COUPLED CYCLIC PEPTIDE TYROSINE TYROSINE COMPOUNDS AS MODULATORS OF NEUROPEPTIDE Y RECEPTORS NPY1R, NPY5R, NPY2R NOD1 1373/4885MME 432/4885ACE 2452/4885

“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.