SCHEMBL3249763

SCHEMBL3249763

O=C(O)CN1CCN(CC(=O)O)CCN(CC(CCCc2ccc([N+](=O)[O-])cc2)N(CC(=O)O)CC(=O)O)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 8/20 0.46
SIGMAR1 Q99720 2/20 0.46
KCNH2 Q12809 8/20 0.44
POLB P06746 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
OPRK1 P41145 1/20 0.40
S1PR1 P21453 1/20 0.39
CCR2 P41597 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
NR2F2 P24468 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL3769255 1.00 KCNJ1 (0.46) KCNJ1SIGMAR1KCNH2POLBHRH3
SCHEMBL17986201 0.96 KCNJ1 (0.45) KCNJ1SIGMAR1KCNH2POLBHRH3
SCHEMBL13014054 0.95 KCNJ1 (0.45) KCNJ1SIGMAR1KCNH2HRH3OPRK1
SCHEMBL13014130 0.95 KCNJ1 (0.45) KCNJ1SIGMAR1KCNH2HRH3OPRK1
SCHEMBL16631744 0.93 KCNJ1 (0.45) KCNJ1SIGMAR1KCNH2HRH3CCR2
SCHEMBL17986129 0.93 KCNJ1 (0.45) KCNJ1SIGMAR1KCNH2HRH3CCR2
SCHEMBL18021193 0.92 SIGMAR1 (0.45) KCNJ1SIGMAR1KCNH2HRH3OPRK1
SCHEMBL25936773 0.91 KCNJ1 (0.39) KCNJ1SIGMAR1KCNH2POLBHRH3
SCHEMBL7943880 0.90 KCNJ1 (0.40) KCNJ1SIGMAR1KCNH2POLBHRH3
SCHEMBL17985855 0.88 KCNJ1 (0.48) KCNJ1SIGMAR1KCNH2HRH3CCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250339569-A1 CARBONIC ANHYDRASE IX LIGANDS 3B PHARMACEUTICALS GMBH (DE) 2025-11-06 US disclosed
US-20250296971-A1 GASTRIC INHIBITORY PEPTIDE RECEPTOR LIGANDS 3B PHARMACEUTICALS GMBH (DE) 2025-09-25 US disclosed
EP-4455159-A1 GASTRIC INHIBITORY PEPTIDE RECEPTOR LIGANDS WITH BIO-DISTRIBUTION MODIFIER 3B Pharmaceuticals GmbH (DE) 2024-10-30 EP disclosed
EP-4448544-A2 CARBONIC ANHYDRASE IX LIGANDS 3B Pharmaceuticals GmbH (DE) 2024-10-23 EP disclosed
EP-4423110-A2 GASTRIC INHIBITORY PEPTIDE RECEPTOR LIGANDS 3B Pharmaceuticals GmbH (DE) 2024-09-04 EP disclosed
WO-2023111350-A2 CARBONIC ANHYDRASE IX LIGANDS 3B PHARMACEUTICALS GMBH (DE) 2023-06-22 WO disclosed
WO-2023072971-A2 GASTRIC INHIBITORY PEPTIDE RECEPTOR LIGANDS 3B PHARMACEUTICALS GMBH (DE) 2023-05-04 WO disclosed
EP-4170347-A1 GASTRIC INHIBITORY PEPTIDE RECEPTOR LIGANDS 3B Pharmaceuticals GmbH (DE) 2023-04-26 EP disclosed
US-20170008863-A1 SYNTHESIS OF THERAPEUTIC AND DIAGNOSTIC DRUGS CENTERED ON REGIOSELECTIVE AND STEREOSELECTIVE RING OPENING OF AZIRIDINIUM IONS CHONG, HYUN-SOON, PHD 2017-01-12 US disclosed
US-9446995-B2 Synthesis of therapeutic and diagnostic drugs centered on regioselective and stereoselective ring opening of aziridinium ions ILLINOIS INSTITUTE OF TECHNOLOGY (US) 2016-09-20 US disclosed
US-20160235870-A1 MULTIFUNCTIONAL CHELATORS, COMPLEXES, AND COMPOSITIONS THEREOF, AND METHODS OF USING SAME ILLINOIS INSTITUTE OF TECHNOLOGY (US) 2016-08-18 US disclosed
WO-2010011367-A2 BIMODAL LIGANDS WITH MACROCYCLIC AND ACYCLIC BINDING MOIETIES, COMPLEXES AND COMPOSITIONS THEREOF, AND METHODS OF USING ILLINOIS INSTITUTE OF TECHNOLOGY (US) 2010-01-28 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 (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-20250296971-A1 GASTRIC INHIBITORY PEPTIDE RECEPTOR LIGANDS GIPR, VIP, GRPR KCNJ1 3909/4885SIGMAR1 445/4885KCNH2 3563/4885
US-20170008863-A1 SYNTHESIS OF THERAPEUTIC AND DIAGNOSTIC DRUGS CENTERED ON REGIOSELECTIVE AND STEREOSELECTIVE RING OPENING OF AZIRIDINIUM IONS AZI2, ABL1, DHPS KCNJ1 296/4885SIGMAR1 3169/4885KCNH2 710/4885
US-20250339569-A1 CARBONIC ANHYDRASE IX LIGANDS CA9, CA13, CA4 KCNJ1 3501/4885SIGMAR1 3839/4885KCNH2 3620/4885
US-20160235870-A1 MULTIFUNCTIONAL CHELATORS, COMPLEXES, AND COMPOSITIONS THEREOF, AND METHODS OF USING SAME FECH, SLC40A1, TFRC KCNJ1 3900/4885SIGMAR1 1930/4885KCNH2 4384/4885

“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.