SCHEMBL22649131

SCHEMBL22649131

N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BDKRB2 P30411 5/20 0.57
▸ OPRM1 P35372 4/20 0.54
▸ OPRD1 P41143 4/20 0.54
▸ EPHA2 P29317 2/20 0.53
▸ NMUR2 Q9GZQ4 5/20 0.52
▸ NMUR1 Q9HB89 5/20 0.52
▸ MAPK8 P45983 1/20 0.52
▸ MAPK9 P45984 1/20 0.52
▸ MAPK10 P53779 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
SCHEMBL30930223 0.96 OPRM1 (0.55) BDKRB2OPRM1OPRD1EPHA2NMUR2
SCHEMBL29590593 0.96 OPRM1 (0.55) BDKRB2OPRM1OPRD1EPHA2NMUR2
SCHEMBL31289579 0.90 BDKRB2 (0.55) BDKRB2OPRM1OPRD1
SCHEMBL29405398 0.90 BDKRB2 (0.70) BDKRB2OPRM1OPRD1NMUR2NMUR1
Bradykinin SCHEMBL7949679 0.89 BDKRB2 (0.67) BDKRB2OPRM1OPRD1EPHA2NMUR2
Bradykinin SCHEMBL7949684 0.89 BDKRB2 (0.67) BDKRB2OPRM1OPRD1EPHA2NMUR2
SCHEMBL30672572 0.89 BDKRB2 (0.72) BDKRB2OPRM1OPRD1EPHA2NMUR2
SCHEMBL29973237 0.87 BDKRB2 (0.64) BDKRB2OPRM1OPRD1EPHA2NMUR2
SCHEMBL17887567 0.87 BDKRB2 (0.64) BDKRB2OPRM1OPRD1EPHA2NMUR2
SCHEMBL29826081 0.87 MAPK8 (0.53) OPRM1EPHA2NMUR2NMUR1MAPK8

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
WO-2024259525-A1 NANOPARTICLES COMPRISING N,N,N-TRIMETHYL CHITOSAN COATED WITH PEPTIDE AGONISTS OF KININ B1 OR B2 AND/OR PEPTIDE ANTAGONISTS OF KININ B1 FOR TRANSVASCULAR DRUG DELIVERY ACROSS THE BLOOD-BRAIN BARRIER SOCIETE DE COMMERCIALISATION DES PRODUITS DE LA RECHERCHE APPLIQUEE SOCPRA SANTE ET HUMAINES, S.E.C. (CA) 2024-12-26 — — WO disclosed
US-12013392-B2 Global proteomic screening of random bead arrays using mass spectrometry imaging AMBERGEN, INC. (US) 2024-06-18 — — US disclosed
US-11846634-B2 Global proteomic screening of random bead arrays using mass spectrometry imaging AMBERGEN, INC. (US) 2023-12-19 — — US disclosed
US-20200354404-A1 PEPTIDOMIMETIC AGENTS, SYNTHESIS AND USES THEREOF THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH (US) 2020-11-12 — — 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-20200354404-A1 PEPTIDOMIMETIC AGENTS, SYNTHESIS AND USES THEREOF DNPEP, PEPD, ANPEP BDKRB2 281/4885OPRM1 1731/4885OPRD1 3982/4885

“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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