SCHEMBL25941553

SCHEMBL25941553

CNC(=O)[C@H](CCCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NMUR2 Q9GZQ4 6/20 0.56
▸ NMUR1 Q9HB89 5/20 0.56
▸ NPY4R P50391 4/20 0.54
▸ NPY1R P25929 3/20 0.54
▸ NPY2R P49146 3/20 0.54
▸ NPY5R Q15761 3/20 0.54
▸ OPRM1 P35372 6/20 0.53
▸ OPRK1 P41145 6/20 0.53
▸ KDM1A O60341 1/20 0.53
▸ EPHA2 P29317 1/20 0.53
▸ NTSR2 O95665 1/20 0.52
▸ NTSR1 P30989 1/20 0.52

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
SCHEMBL13402619 0.84 OPRM1 (0.58) NMUR2NMUR1NPY1ROPRM1OPRK1
SCHEMBL13402428 0.84 OPRM1 (0.58) NMUR2NMUR1NPY4RNPY1RNPY2R
SCHEMBL29629297 0.84 EPHA2 (0.51) NMUR2NMUR1OPRM1EPHA2NTSR2
SCHEMBL13402670 0.84 OPRM1 (0.62) NMUR2NMUR1NPY4RNPY1RNPY2R
SCHEMBL30680640 0.83 NMUR2 (0.61) NMUR2NMUR1NPY1RKDM1AEPHA2
SCHEMBL29657984 0.83 EPHA2 (0.57) NMUR2NMUR1NPY4RNPY1RNPY2R
SCHEMBL30943511 0.83 NMUR2 (0.58) NMUR2NMUR1NPY4RNPY1RNPY2R
SCHEMBL30436277 0.83 NTSR1 (0.60) NMUR2NMUR1NPY4RNPY1RNPY2R
SCHEMBL31239093 0.83 NMUR2 (0.58) NMUR2NMUR1NPY4RNPY1RNPY2R
SCHEMBL31575684 0.83 KDM1A (0.56) NPY4RNPY1RNPY2RNPY5RKDM1A

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-20230242586-A1 RAS INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-08-03 — — 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 (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-20230242586-A1 RAS INHIBITORS AND USES THEREOF KRAS, NRAS, HRAS NMUR2 3532/4885NMUR1 3474/4885NPY4R 4806/4885

“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.

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