SCHEMBL29473455

SCHEMBL29473455

CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(C)C)C(N)=O

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GRPR P30550 6/20 0.57
▸ REN P00797 5/20 0.53
▸ NPBWR1 P48145 3/20 0.49
▸ OPRM1 P35372 2/20 0.48
▸ OPRD1 P41143 2/20 0.48
▸ KEAP1 Q14145 1/20 0.47

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
SCHEMBL31494985 0.95 REN (0.53) GRPRRENNPBWR1OPRM1OPRD1
SCHEMBL29473430 0.95 REN (0.55) GRPRRENNPBWR1OPRM1OPRD1
SCHEMBL16716014 0.94 GRPR (0.57) GRPRREN
SCHEMBL12767725 0.94 GRPR (0.58) GRPRRENNPBWR1
SCHEMBL30398505 0.94 GRPR (0.64) GRPR
SCHEMBL30118088 0.94 GRPR (0.62) GRPRREN
SCHEMBL29484960 0.92 GRPR (0.67) GRPR
SCHEMBL29484954 0.92 GRPR (0.67) GRPR
SCHEMBL38660507 0.89 GRPR (0.58) GRPRNPBWR1OPRM1OPRD1
SCHEMBL31494987 0.89 GRPR (0.56) GRPRNPBWR1OPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12269837-B2 Bifunctional do2pa derivatives, chelates with metallic cations and use thereof CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2025-04-08 — — US disclosed
EP-4188457-A1 CONJUGATE OR ITS SALT COMPRISING A GASTRIN-RELEASING PEPTIDE RECEPTOR ANTAGONIST AND USES THEREOF Orano Med (FR) 2023-06-07 — — EP disclosed
EP-4076541-A1 MODIFIED GRPR ANTAGONIST PEPTIDES FOR IMAGING AND THERAPY OF CANCER Technische Universität München (DE) 2022-10-26 — — EP disclosed
US-20220143230-A1 BIFUNCTIONAL do2pa DERIVATIVES, CHELATES WITH METALLIC CATIONS AND USE THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2022-05-12 — — US disclosed
WO-2022063850-A1 CONJUGATE OR ITS SALT COMPRISING A GASTRIN-RELEASING PEPTIDE RECEPTOR ANTAGONIST AND USES THEREOF ORANO MED (FR) 2022-03-31 — — WO 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 (2 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-20220143230-A1 BIFUNCTIONAL do2pa DERIVATIVES, CHELATES WITH METALLIC CATIONS AND USE THEREOF AP2A2, ATP2A2, SLC20A2 GRPR 2119/4885REN 3185/4885NPBWR1 2045/4885
US-12269837-B2 Bifunctional do2pa derivatives, chelates with metallic cations and use thereof AP2A2, ATP2A2, SLC20A2 GRPR 2119/4885REN 3185/4885NPBWR1 2045/4885

“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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