SCHEMBL20130627

SCHEMBL20130627

CC(S)C(=O)[C@H](CCCNC(=N)N)N(C)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.34
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA4 P43681 1/20 0.30
NPY4R P50391 3/20 0.30
NPY1R P25929 2/20 0.30
NPY2R P49146 2/20 0.30
NPY5R Q15761 2/20 0.30

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
SCHEMBL20100650 0.89 ALOX15 (0.36) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL20130639 0.84 ALOX15 (0.36) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL23222830 0.84 ALOX15 (0.36) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL23771470 0.83 ALOX15 (0.34) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL20130658 0.82 ALOX15 (0.35) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL20104623 0.81 ALOX15 (0.34) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL26388832 0.77 ALOX15 (0.33) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL21541002 0.77 ALOX15 (0.34) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL20100647 0.74 CHRNB2 (0.32) CHRNB2CHRNB4CHRNA4
SCHEMBL20104594 0.74 NPY4R (0.37) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11591379-B2 Antibody-coupled cyclic peptide tyrosine tyrosine compounds as modulators of neuropeptide Y receptors JANSSEN PHARMACEUTICA NV (BE) 2023-02-28 US disclosed
US-10968264-B2 Cyclic peptide tyrosine tyrosine compounds as modulators of neuropeptide Y receptors JANSSEN PHARMACEUTICA NV (BE) 2021-04-06 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 (3 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-20180127476-A1 CYCLIC PEPTIDE TYROSINE TYROSINE COMPOUNDS AS MODULATORS OF NEUROPEPTIDE Y RECEPTORS NPY4R, NPY5R, NPY1R ALOX15 1793/4885MEN1 1346/4885CYP1A2 4129/4885
US-11591379-B2 Antibody-coupled cyclic peptide tyrosine tyrosine compounds as modulators of neuropeptide Y receptors NPY1R, NPY5R, NPY2R ALOX15 2953/4885MEN1 1303/4885CYP1A2 4749/4885
US-10968264-B2 Cyclic peptide tyrosine tyrosine compounds as modulators of neuropeptide Y receptors NPY4R, NPY5R, NPY1R ALOX15 1793/4885MEN1 1346/4885CYP1A2 4129/4885

“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.