SCHEMBL20100672

SCHEMBL20100672

Cc1ccc(CCCCCCCCCCC(=O)N[C@@H](CCC(=O)C(C)(C)C)C(=O)O)c(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 6/20 0.40
S1PR1 P21453 1/20 0.39
GART P22102 3/20 0.35
FOLH1 Q04609 3/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
CAPN1 P07384 1/20 0.33
CNR2 P34972 1/20 0.33
FAAH O00519 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
SCHEMBL20126945 0.90 NOD1 (0.40) NOD1S1PR1GARTFOLH1
SCHEMBL20100671 0.82 ITGB3 (0.47) NOD1ITGB3ITGA2B
SCHEMBL20100673 0.79 ALB (0.47) NOD1ITGB3ITGA2BFAAH
SCHEMBL20100670 0.79 NOD1 (0.41) NOD1GARTITGB3ITGA2B
SCHEMBL20126950 0.75 NOD1 (0.38) NOD1FOLH1
SCHEMBL20100660 0.74 NOD1 (0.52) NOD1ITGB3ITGA2B
SCHEMBL20100658 0.74 NOD1 (0.52) NOD1ITGB3ITGA2B
SCHEMBL21282066 0.74 NOD1 (0.57) NOD1FOLH1
SCHEMBL21955523 0.74 NOD1 (0.57) NOD1FOLH1
SCHEMBL29324465 0.74 NOD1 (0.57) NOD1FOLH1

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 6 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-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-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
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 (6 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 1513/4885S1PR1 1480/4885GART 4479/4885
US-11732019-B2 Cyclic peptide tyrosine tyrosine compounds as modulators of neuropeptide Y receptors NPY4R, NPY5R, NPY1R NOD1 1513/4885S1PR1 1480/4885GART 4479/4885
US-20180127476-A1 CYCLIC PEPTIDE TYROSINE TYROSINE COMPOUNDS AS MODULATORS OF NEUROPEPTIDE Y RECEPTORS NPY4R, NPY5R, NPY1R NOD1 1513/4885S1PR1 1480/4885GART 4479/4885
US-20180117170-A1 ANTIBODY-COUPLED CYCLIC PEPTIDE TYROSINE TYROSINE COMPOUNDS AS MODULATORS OF NEUROPEPTIDE Y RECEPTORS NPY1R, NPY5R, NPY2R NOD1 1373/4885S1PR1 1142/4885GART 3192/4885
US-20230365644-A1 ANTIBODY-COUPLED CYCLIC PEPTIDE TYROSINE TYROSINE COMPOUNDS AS MODULATORS OF NEUROPEPTIDE Y RECEPTORS NPY1R, NPY5R, NPY2R NOD1 1373/4885S1PR1 1142/4885GART 3192/4885
US-11767354-B2 Antibody-coupled cyclic peptide tyrosine tyrosine compounds as modulators of neuropeptide Y receptors NPY1R, NPY5R, NPY2R NOD1 1373/4885S1PR1 1142/4885GART 3192/4885

“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.