SCHEMBL30140984

SCHEMBL30140984

CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)N(C)[C@@H](CCCCN)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 8/20 0.55
▸ OPRK1 P41145 8/20 0.55
▸ CXCR4 P61073 1/20 0.52
▸ KEAP1 Q14145 1/20 0.51
▸ TFPI P10646 3/20 0.51
▸ EPHA2 P29317 1/20 0.50
▸ NMUR2 Q9GZQ4 1/20 0.50
▸ NMUR1 Q9HB89 1/20 0.50
▸ OPRD1 P41143 1/20 0.50

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
SCHEMBL29783034 0.85 OPRM1 (0.53) OPRM1OPRK1CXCR4KEAP1TFPI
SCHEMBL30085017 0.84 CXCR4 (0.60) OPRM1OPRK1CXCR4KEAP1TFPI
SCHEMBL30842181 0.83 NMUR2 (0.64) OPRM1CXCR4TFPIEPHA2NMUR2
SCHEMBL30176437 0.83 TFPI (0.64) CXCR4TFPIEPHA2NMUR2NMUR1
SCHEMBL30176414 0.83 TFPI (0.64) CXCR4TFPIEPHA2NMUR2NMUR1
SCHEMBL29783021 0.83 OPRM1 (0.54) OPRM1OPRK1KEAP1EPHA2NMUR2
SCHEMBL8067075 0.83 NMUR2 (0.58) OPRM1OPRK1CXCR4TFPINMUR2
SCHEMBL8067081 0.83 NMUR2 (0.58) OPRM1OPRK1CXCR4TFPINMUR2
SCHEMBL30834921 0.83 NMUR2 (0.65) OPRM1OPRK1KEAP1TFPIEPHA2
SCHEMBL30804665 0.83 TFPI (0.59) OPRM1OPRK1CXCR4TFPINMUR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260048130-A1 ALPHA-V BETA-6 (avb6) INTEGRIN LIGANDS FOR EXTRAHEPATIC DELIVERY ALNYLAM PHARMACEUTICALS INC (US) 2026-02-19 — — US disclosed
EP-4605008-A1 ALPHA-V BETA-6 INTEGRIN LIGANDS FOR EXTRAHEPATIC DELIVERY Alnylam Pharmaceuticals, Inc. (US) 2025-08-27 — — EP disclosed
US-20250025564-A1 SIMPLE CHEMICAL APPROACHES TO INTRODUCE 2,6-DIAMINOPURINE AND 2-AMINOADENINE CONJUGATES INTO OLIGONUCLEOTIDES ALNYLAM PHARMACEUTICALS, INC. (US) 2025-01-23 — — US disclosed
WO-2024129931-A1 ALPHA-V BETA-6(ανβ6) INTEGRIN LIGANDS FOR EXTRAHEPATIC DELIVERY ALNYLAM PHARMACEUTICALS, INC. (US) 2024-06-20 — — WO disclosed
EP-4370136-A2 SIMPLE CHEMICAL APPROACHES TO INTRODUCE 2,6-DIAMINOPURINE AND 2-AMINOADENINE CONJUGATES INTO OLIGONUCLEOTIDES Alnylam Pharmaceuticals, Inc. (US) 2024-05-22 — — EP disclosed
WO-2023288045-A2 SIMPLE CHEMICAL APPROACHES TO INTRODUCE 2,6-DIAMINOPURINE AND 2-AMINOADENINE CONJUGATES INTO OLIGONUCLEOTIDES ALNYLAM PHARMACEUTICALS, INC. (US) 2023-01-19 — — 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-20250025564-A1 SIMPLE CHEMICAL APPROACHES TO INTRODUCE 2,6-DIAMINOPURINE AND 2-AMINOADENINE CONJUGATES INTO OLIGONUCLEOTIDES ADAR, ADA, NUDT1 OPRM1 2519/4885OPRK1 3222/4885CXCR4 1927/4885
US-20260048130-A1 ALPHA-V BETA-6 (avb6) INTEGRIN LIGANDS FOR EXTRAHEPATIC DELIVERY ITGB6, ITGA6, ITGA2B OPRM1 631/4885OPRK1 1253/4885CXCR4 1091/4885

“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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