SCHEMBL336114

SCHEMBL336114

O=P(O)(O)CN1CCNCCN(CP(=O)(O)O)CCN(CP(=O)(O)O)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
ANPEP P15144 1/20 0.45
ERAP2 Q6P179 1/20 0.45
CHRM5 P08912 2/20 0.36
CHRM3 P20309 2/20 0.36
POLB P06746 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SIGMAR1 Q99720 4/20 0.33
GRIN2D O15399 2/20 0.33
GRIN3B O60391 2/20 0.33
THRB P10828 2/20 0.33
GRIN1 Q05586 2/20 0.33
GRIN2A Q12879 2/20 0.33
GRIN2B Q13224 2/20 0.33
GRIN2C Q14957 2/20 0.33
GRIN3A Q8TCU5 2/20 0.33
CXCR4 P61073 2/20 0.33

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
SCHEMBL472195 1.00 MAPT (0.49) MAPTANPEPERAP2CHRM5CHRM3
SCHEMBL336756 0.98 MAPT (0.50) MAPTANPEPERAP2CHRM5CHRM3
SCHEMBL7453394 0.98 MAPT (0.50) MAPTANPEPERAP2CHRM5CHRM3
SCHEMBL8393831 0.95 MAPT (0.49) MAPTANPEPERAP2CHRM5CHRM3
SCHEMBL9041381 0.95 MAPT (0.49) MAPTANPEPERAP2CHRM5CHRM3
Hydrochloric Acid SCHEMBL31341457 0.95 MAPT (0.49) MAPTANPEPERAP2CHRM5CHRM3
SCHEMBL13805262 0.90 CXCR4 (0.44) MAPTANPEPERAP2CHRM5CHRM3
SCHEMBL13805263 0.90 CXCR4 (0.47) MAPTANPEPERAP2CHRM5CHRM3
SCHEMBL16800520 0.87 MAPT (0.47) MAPTANPEPERAP2CHRM5CHRM3
SCHEMBL30811210 0.87 MAPT (0.47) MAPTANPEPERAP2CHRM5CHRM3

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 59 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021116712-A1 FUNCTIONALISED MICROBUBBLE MEDIATED CELL TAGGING OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2021-06-17 WO claimed
US-10874753-B2 Radiopharmaceutical conjugate of a metabolite and an EPR agent, for targeting tumour cells THE SOUTH AFRICAN NUCLEAR ENERGY CORPORATION LIMITED (ZA) 2020-12-29 US claimed
EP-3703676-A1 COMPOSITION AND METHOD FOR MODIFYING POLYPEPTIDES Advanced Proteome Therapeutics, Inc. (US) 2020-09-09 EP claimed
US-20190175750-A1 COMPOSITION AND METHOD FOR MODIFYING POLYPEPTIDES ADVANCED PROTEOME THERAPEUTICS INC. 2019-06-13 US claimed
EP-2453927-B1 LOADING TECHNIQUE FOR PREPARING RADIONUCLIDE AND IONOPHORE CONTAINING LIPOSOMES IN WHICH THE IONOPHORE IS 2-HYDROXYQUIONOLINE (CARBOSTYRIL) OR STRUCTURALLY RELATED 2-HYDROXYQUINOLINES UNIV DENMARK TECH DTU (DK) 2019-05-15 EP claimed
EP-2651447-B1 ENTRAPMENT OF RADIONUCLIDES IN NANOPARTICLE COMPOSITIONS UNIV DENMARK TECH DTU (DK) 2018-08-29 EP claimed
US-20170296684-A1 RADIOPHARMACEUTICAL CONJUGATE UNIVERSITY OF CAPE TOWN (ZA) 2017-10-19 US claimed
US-20160158392-A1 Entrapment of Radionuclides in Nanoparticle Compositions RIGSHOSPITALET (DK) 2016-06-09 US claimed
US-9226984-B2 Entrapment of radionuclides in nanoparticle compositions Technical University of Denmark and Rigshospitalet (DK) 2016-01-05 US claimed
US-8920775-B2 Loading technique for preparing radionuclide containing nanoparticles TECHNICAL UNIVERSITY OF DENMARK (DK) 2014-12-30 US claimed
US-20130251630-A1 Entrapment of Radionuclides in Nanoparticle Compositions RIGSHOSPITALET (DK) 2013-09-26 US claimed
US-20120213698-A1 LOADING TECHNIQUE FOR PREPARING RADIONUCLIDE CONTAINING NANOPARTICLES RIGSHOSPITALET (DK) 2012-08-23 US claimed
EP-2399938-A2 Peptide purification by means of hard metal ion affinity chromatography Novo Nordisk A/S (DK) 2011-12-28 EP claimed
EP-4610269-A1 UROKINASE PLASMINOGEN ACTIVATOR SURFACE RECEPTOR (UPAR) LIGANDS FOR DIAGNOSTIC OR THERAPEUTIC USE 3B Pharmaceuticals GmbH (DE) 2025-09-03 EP disclosed
EP-4583917-A1 PROSTATE SPECIFIC MEMBRANE ANTIGEN (PSMA) LIGANDS AND USE THEREOF 3B Pharmaceuticals GmbH (DE) 2025-07-16 EP disclosed
WO-2024052431-A1 PROSTATE SPECIFIC MEMBRANE ANTIGEN (PSMA) LIGANDS AND USE THEREOF 3B PHARMACEUTICALS GMBH (DE) 2024-03-14 WO disclosed
US-20090143529-A1 Peptide purification by means of hard metal ion affinity chromatography HEARN MILTON THOMAS WILLIAM 2009-06-04 US disclosed
US-20090143529-A1 Peptide purification by means of hard metal ion affinity chromatography HEARN MILTON THOMAS WILLIAM 2009-06-04 US disclosed
US-20070048216-A1 Non-invasive diagnostic agents of cancer and methods of diagnosing cancer, especially leukemia and lymphoma NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-03-01 US disclosed
US-20070025910-A1 Anticancer therapy REGENTS OF THE UNIVERSITY OF NEW MEXICO 2007-02-01 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 (6 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-10874753-B2 Radiopharmaceutical conjugate of a metabolite and an EPR agent, for targeting tumour cells EPRS1, FOLH1, SLC46A1 MAPT 3477/4885ANPEP 156/4885ERAP2 445/4885
US-20070048216-A1 Non-invasive diagnostic agents of cancer and methods of diagnosing cancer, especially leukemia and lymphoma MCL1, BCL3, BCL9 MAPT 4381/4885ANPEP 1531/4885ERAP2 3178/4885
US-20090143529-A1 Peptide purification by means of hard metal ion affinity chromatography MAX, PTMS, SLC7A1 MAPT 2874/4885ANPEP 7/4885ERAP2 2195/4885
US-20190175750-A1 COMPOSITION AND METHOD FOR MODIFYING POLYPEPTIDES PTMS, SRMS, ACP1 MAPT 592/4885ANPEP 161/4885ERAP2 1595/4885
US-20120213698-A1 LOADING TECHNIQUE FOR PREPARING RADIONUCLIDE CONTAINING NANOPARTICLES LIPG, NPC1L1, CD47 MAPT 4367/4885ANPEP 731/4885ERAP2 1034/4885
US-20170296684-A1 RADIOPHARMACEUTICAL CONJUGATE FOLH1, EPRS1, FOLR1 MAPT 3460/4885ANPEP 122/4885ERAP2 686/4885

“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.