SCHEMBL3769255

SCHEMBL3769255

O=C(O)CN1CCN(CC(=O)O)CCN(CC(CCCc2ccc([N+](=O)[O-])cc2)N(CC(=O)O)CC(=O)O)CCN(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
SCHEMBL3249763 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4455159-A1 GASTRIC INHIBITORY PEPTIDE RECEPTOR LIGANDS WITH BIO-DISTRIBUTION MODIFIER 3B Pharmaceuticals GmbH (DE) 2024-10-30 EP disclosed
US-20230114807-A1 RADIOLABELED COMPOUNDS TARGETING THE PROSTATE-SPECIFIC MEMBRANE ANTIGEN PROVINCIAL HEALTH SERVICES AUTHORITY (CA) 2023-04-13 US disclosed
US-20210338851-A1 RADIOLABELED COMPOUNDS TARGETING THE PROSTATE-SPECIFIC MEMBRANE ANTIGEN THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2021-11-04 US disclosed
US-20210205483-A1 RADIOLABELED MELANOCORTIN 1 RECEPTOR-SPECIFIC ALPHA-MELANOCYTE-STIMULATING HORMONE ANALOGUES FOR IMAGING OR THERAPY PROVINCIAL HEALTH SERVICES AUTHORITY (CA) 2021-07-08 US disclosed
US-10556873-B2 Bimodal ligands with macrocyclic and acyclic binding moieties, complexes and compositions thereof, and methods of using ILLINOIS INSTITUTE OF TECHNOLOGY (US) 2020-02-11 US disclosed
US-10189803-B2 Synthesis of therapeutic and diagnostic drugs centered on regioselective and stereoselective ring opening of aziridinium ions ILLINOIS INSTITUTE OF TECHNOLOGY (US) 2019-01-29 US disclosed
US-10189803-B2 Synthesis of therapeutic and diagnostic drugs centered on regioselective and stereoselective ring opening of aziridinium ions ILLINOIS INSTITUTE OF TECHNOLOGY (US) 2019-01-29 US 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-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-20160235870-A1 MULTIFUNCTIONAL CHELATORS, COMPLEXES, AND COMPOSITIONS THEREOF, AND METHODS OF USING SAME ILLINOIS INSTITUTE OF TECHNOLOGY (US) 2016-08-18 US disclosed
US-20160052894-A1 BIMODAL LIGANDS WITH MACROCYCLIC AND ACYCLIC BINDING MOIETIES, COMPLEXES AND COMPOSITIONS THEREOF, AND METHODS OF USING CHONG, HYUN-SOON, PHD 2016-02-25 US disclosed
US-9115094-B2 Bimodal ligands with macrocyclic and acyclic binding moieties, complexes and compositions thereof, and methods of using THE UNITED STATES OF AMERICA, NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS) (US) 2015-08-25 US disclosed
US-9115094-B2 Bimodal ligands with macrocyclic and acyclic binding moieties, complexes and compositions thereof, and methods of using THE UNITED STATES OF AMERICA, NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS) (US) 2015-08-25 US disclosed
US-20100322855-A1 Bimodal ligands with macrocyclic and acyclic binding moieties, complexes and compositions thereof, and methods of using ILLINOIS INSTITUTE OF TECHNOLOGY (US) 2010-12-23 US disclosed
US-20100322855-A1 Bimodal ligands with macrocyclic and acyclic binding moieties, complexes and compositions thereof, and methods of using ILLINOIS INSTITUTE OF TECHNOLOGY (US) 2010-12-23 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 (9 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-20210338851-A1 RADIOLABELED COMPOUNDS TARGETING THE PROSTATE-SPECIFIC MEMBRANE ANTIGEN FOLH1, KLK3, PSMA3 KCNJ1 3585/4885SIGMAR1 1320/4885KCNH2 644/4885
US-10556873-B2 Bimodal ligands with macrocyclic and acyclic binding moieties, complexes and compositions thereof, and methods of using UACA, CLTC, CLTA KCNJ1 4733/4885SIGMAR1 1056/4885KCNH2 3435/4885
US-20210205483-A1 RADIOLABELED MELANOCORTIN 1 RECEPTOR-SPECIFIC ALPHA-MELANOCYTE-STIMULATING HORMONE ANALOGUES FOR IMAGING OR THERAPY MC1R, MC5R, MC3R KCNJ1 4831/4885SIGMAR1 529/4885KCNH2 4091/4885
US-20160052894-A1 BIMODAL LIGANDS WITH MACROCYCLIC AND ACYCLIC BINDING MOIETIES, COMPLEXES AND COMPOSITIONS THEREOF, AND METHODS OF USING UACA, CLTC, CLTA KCNJ1 4733/4885SIGMAR1 1056/4885KCNH2 3435/4885
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-10189803-B2 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-20230114807-A1 RADIOLABELED COMPOUNDS TARGETING THE PROSTATE-SPECIFIC MEMBRANE ANTIGEN FOLH1, KLK3, PSMA3 KCNJ1 3585/4885SIGMAR1 1320/4885KCNH2 644/4885
US-20160235870-A1 MULTIFUNCTIONAL CHELATORS, COMPLEXES, AND COMPOSITIONS THEREOF, AND METHODS OF USING SAME FECH, SLC40A1, TFRC KCNJ1 3900/4885SIGMAR1 1930/4885KCNH2 4384/4885
US-20100322855-A1 Bimodal ligands with macrocyclic and acyclic binding moieties, complexes and compositions thereof, and methods of using UACA, CLTC, PKD1 KCNJ1 4684/4885SIGMAR1 870/4885KCNH2 3525/4885

“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.