SCHEMBL20126898

SCHEMBL20126898

Cc1ccc(-c2ccc(CC(=O)N[C@@H](CCC(=O)C(C)C)C(=O)O)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
HPGD P15428 3/20 0.50
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 3/20 0.50
MAPT P10636 1/20 0.50
KEAP1 Q14145 7/20 0.46
NFE2L2 Q16236 7/20 0.46
CNR2 P34972 2/20 0.45
CNR1 P21554 1/20 0.45
PSMB8 P28062 1/20 0.43
PSMB5 P28074 1/20 0.43
RAB9A P51151 1/20 0.42
UTS2R Q9UKP6 1/20 0.41

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
SCHEMBL20130631 0.89 ALDH1A1 (0.49) KMT2AHPGDALDH1A1MAPTCNR2
SCHEMBL20100657 0.84 KMT2A (0.49) KMT2AHPGDALDH1A1MEN1MAPT
SCHEMBL4923932 0.79 ALDH1A1 (0.60) KMT2AHPGDALDH1A1MEN1MAPT
SCHEMBL4923938 0.79 ALDH1A1 (0.60) KMT2AHPGDALDH1A1MEN1MAPT
SCHEMBL24831957 0.77 ALDH1A1 (0.64) HPGDALDH1A1KEAP1NFE2L2CNR2
SCHEMBL2324412 0.76 NPSR1 (0.59) ALDH1A1CNR2CNR1
SCHEMBL4916489 0.76 ALDH1A1 (0.57) KMT2AHPGDALDH1A1MEN1MAPT
SCHEMBL20099708 0.76 KMT2A (0.50) KMT2AHPGDALDH1A1MAPTCNR2
SCHEMBL2328570 0.76 CNR2 (0.54) KMT2AHPGDMEN1MAPTKEAP1
SCHEMBL26309847 0.74 CNR2 (0.50) KMT2AHPGDALDH1A1MAPTCNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20180127476-A1 CYCLIC PEPTIDE TYROSINE TYROSINE COMPOUNDS AS MODULATORS OF NEUROPEPTIDE Y RECEPTORS NPY4R, NPY5R, NPY1R KMT2A 2517/4885HPGD 4490/4885ALDH1A1 4881/4885

“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.