SCHEMBL463667

SCHEMBL463667

O=C(O)CN1CCN(CC(=O)O)CCN(CC(Cc2ccc([N+](=O)[O-])cc2)N(CC(=O)O)CC(=O)O)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.42
KCNJ1 P48048 6/20 0.42
KCNH2 Q12809 5/20 0.42
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 1/20 0.41
NR2F2 P24468 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
CCR2 P41597 1/20 0.39
LMNA P02545 1/20 0.39
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL13014163 1.00 OPRK1 (0.42) OPRK1KCNJ1KCNH2KDM4ENPC1
SCHEMBL408756 0.95 KCNJ1 (0.43) OPRK1KCNJ1KCNH2KDM4ENPC1
SCHEMBL18021169 0.92 SIGMAR1 (0.41) OPRK1KCNJ1KCNH2CCR2SIGMAR1
SCHEMBL3783192 0.90 SLC6A9 (0.34) OPRK1KCNJ1KCNH2KDM4ENPC1
SCHEMBL18021181 0.89 SIGMAR1 (0.41) OPRK1KCNJ1KCNH2ALDH1A1CCR2
SCHEMBL3769255 0.87 KCNJ1 (0.46) OPRK1KCNJ1KCNH2KDM4ENPC1
SCHEMBL3249763 0.87 KCNJ1 (0.46) OPRK1KCNJ1KCNH2KDM4ENPC1
SCHEMBL18021163 0.85 SIGMAR1 (0.50) OPRK1KCNJ1KCNH2KDM4ENPC1
SCHEMBL17986201 0.85 KCNJ1 (0.45) OPRK1KCNJ1KCNH2KDM4ENPC1
SCHEMBL18021164 0.84 SIGMAR1 (0.44) OPRK1KCNJ1KCNH2KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250360237-A1 TARGETING SYSTEM FOR CANCER TREATMENT Coretag IP B.V. (NL) 2025-11-27 US claimed
EP-4615507-A1 TARGETING SYSTEM FOR CANCER TREATMENT Coretag IP B.V. (NL) 2025-09-17 EP claimed
WO-2024101993-A1 TARGETING SYSTEM FOR CANCER TREATMENT Coretag IP B.V. (NL) 2024-05-16 WO claimed
US-20230348378-A1 SMALL MOLECULE ALBUMIN BINDERS OREGON HEALTH & SCIENCE UNIVERSITY 2023-11-02 US claimed
WO-2022040607-A1 SMALL MOLECULE ALBUMIN BINDERS OREGON HEALTH & SCIENCE UNIVERSITY (US) 2022-02-24 WO claimed
US-20250360237-A1 TARGETING SYSTEM FOR CANCER TREATMENT Coretag IP B.V. (NL) 2025-11-27 US disclosed
EP-4615507-A1 TARGETING SYSTEM FOR CANCER TREATMENT Coretag IP B.V. (NL) 2025-09-17 EP disclosed
WO-2024101993-A1 TARGETING SYSTEM FOR CANCER TREATMENT Coretag IP B.V. (NL) 2024-05-16 WO disclosed
US-20230348378-A1 SMALL MOLECULE ALBUMIN BINDERS OREGON HEALTH & SCIENCE UNIVERSITY 2023-11-02 US disclosed
WO-2022040607-A1 SMALL MOLECULE ALBUMIN BINDERS OREGON HEALTH & SCIENCE UNIVERSITY (US) 2022-02-24 WO disclosed
EP-2396040-B1 USE OF BUFFERS FOR RADIONUCLIDE COMPLEXATION GUERBET SA (FR) 2017-04-05 EP disclosed
US-8986650-B2 Complex folate-NOTA-Ga68 GUERBET (FR) 2015-03-24 US disclosed
US-20120064003-A1 COMPLEX FOLATE-NOTA-Ga68 GUERBET (FR) 2012-03-15 US disclosed
US-20120009124-A1 USE OF BUFFERS FOR RADIONUCLIDE COMPLEXATION GUERBET (FR) 2012-01-12 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 (4 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-20250360237-A1 TARGETING SYSTEM FOR CANCER TREATMENT FOLH1, EGFR, CD47 OPRK1 2067/4885KCNJ1 4833/4885KCNH2 4837/4885
US-20120009124-A1 USE OF BUFFERS FOR RADIONUCLIDE COMPLEXATION CA5B, CA3, CA1 OPRK1 4442/4885KCNJ1 4043/4885KCNH2 1860/4885
US-20120064003-A1 COMPLEX FOLATE-NOTA-Ga68 FOLR1, FOLR2, DHFR OPRK1 3514/4885KCNJ1 4800/4885KCNH2 4549/4885
US-20230348378-A1 SMALL MOLECULE ALBUMIN BINDERS ALB, FABP1, FABP3 OPRK1 4384/4885KCNJ1 4872/4885KCNH2 4850/4885

“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.