SCHEMBL336077

SCHEMBL336077

O=C1CNCCCNCC(=O)NCCCN1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OR51E2 Q9H255 1/20 0.50
CRBN Q96SW2 2/20 0.48
FKBP5 Q13451 1/20 0.48
CXCR4 P61073 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 2/20 0.33
GAA P10253 2/20 0.33
POLB P06746 1/20 0.33
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31

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
SCHEMBL88947 1.00
Hydrochloric Acid SCHEMBL3838535 0.97
SCHEMBL14571204 0.92 CRBN (0.52) OR51E2CRBNFKBP5KDM4EGAA
SCHEMBL20987588 0.92 CRBN (0.52) OR51E2CRBNFKBP5KDM4EGAA
SCHEMBL25857953 0.92 CRBN (0.52) OR51E2CRBNFKBP5KDM4EGAA
SCHEMBL23311429 0.92 CRBN (0.52) OR51E2CRBNFKBP5KDM4EGAA
SCHEMBL10522634 0.90 CXCR4 (0.45) OR51E2CRBNFKBP5CXCR4SMN1; SMN2
Azetidine SCHEMBL18173582 0.89 OR51E2 (0.43) OR51E2CRBNFKBP5CXCR4SMN1; SMN2
SCHEMBL5194 0.82
SCHEMBL4393228 0.82 CRBN (0.42) OR51E2CRBNFKBP5GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10744214-B2 Method of diagnosing and/or monitoring therapy of atherosclerosis STC.UNM (US) 2020-08-18 US disclosed
US-20190192700-A1 ANTICANCER THERAPY STC UNM (US) 2019-06-27 US disclosed
US-10172967-B2 Anticancer therapy STC.UNM (US) 2019-01-08 US disclosed
US-20180369430-A1 METHOD OF DIAGNOSING AND/OR MONITORING THERAPY OF ATHEROSCLEROSIS UNM RAINFOREST INNOVATIONS 2018-12-27 US disclosed
US-20170304471-A1 ANTICANCER THERAPY THE REGENTS OF THE UNIVERSITY OF NEW MEXICO 2017-10-26 US disclosed
US-9610371-B2 Anticancer therapy STC.UNM (US) 2017-04-04 US disclosed
US-9546186-B2 Non-invasive diagnostic agents of cancer and methods of diagnosing cancer, especially leukemia and lymphoma STC.UNM (US) 2017-01-17 US disclosed
US-20160324993-A1 NON-INVASIVE DIAGNOSTIC AGENTS OF CANCER AND METHODS OF DIAGNOSING CANCER, ESPECIALLY LEUKEMIA AND LYMPHOMA STC UNM (US) 2016-11-10 US disclosed
US-20160287728-A1 NON-INVASIVE DIAGNOSTIC AGENTS AND METHODS OF DIAGNOSING INFECTIOUS DISEASE STC UNM (US) 2016-10-06 US disclosed
US-9352059-B2 Non-invasive diagnostic agents and methods of diagnosing infectious disease STC.UNM (US) 2016-05-31 US disclosed
US-20140086833-A1 NON-INVASIVE DIAGNOSTIC AGENTS AND METHODS OF DIAGNOSING INFECTIOUS DISEASE THE REGENTS OF THE UNIVERSITY OF NEW MEXICO 2014-03-27 US disclosed
US-8623322-B2 Non-invasive diagnostic agents and methods of diagnosing infectious disease STC.UNM (US) 2014-01-07 US disclosed
US-20130216478-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 2013-08-22 US disclosed
US-8435489-B2 Non-invasive diagnostic agents of cancer and methods of diagnosing cancer, especially leukemia and lymphoma STC.UNM (US) 2013-05-07 US disclosed
US-20120070372-A1 NON-INVASIVE DIAGNOSTIC AGENTS OF CANCER AND METHODS OF DIAGNOSING CANCER, ESPECIALLY LEUKEMIA AND LYMPHOMA STC.UNM (US) 2012-03-22 US disclosed
US-8097237-B2 Non-invasive diagnostic agents of cancer and methods of diagnosing cancer, especially leukemia and lymphoma STC.UNM (US) 2012-01-17 US disclosed
US-20110177004-A1 Version of FDG Detectable by Single-Photon Emission Computed Tomography OCERA THERAPEUTICS LLC (F/K/A OCERA THERAPEUTICS, INC.) 2011-07-21 US disclosed
US-20110117014-A1 NON-INVASIVE DIAGNOSTIC AGENTS AND METHODS OF DIAGNOSING INFECTIOUS DISEASE THE REGENTS OF THE UNIVERSITY OF NEW MEXICO C/O RESEARCH & TECHNOLOGY LAW 2011-05-19 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 (10 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-20110177004-A1 Version of FDG Detectable by Single-Photon Emission Computed Tomography SLC2A1, SLC2A4, SLC2A3 OR51E2 3602/4885CRBN 4233/4885FKBP5 4562/4885
US-20120070372-A1 NON-INVASIVE DIAGNOSTIC AGENTS OF CANCER AND METHODS OF DIAGNOSING CANCER, ESPECIALLY LEUKEMIA AND LYMPHOMA MCL1, BCL3, BCL9 OR51E2 4615/4885CRBN 2599/4885FKBP5 3703/4885
US-20140086833-A1 NON-INVASIVE DIAGNOSTIC AGENTS AND METHODS OF DIAGNOSING INFECTIOUS DISEASE MALT1, MAVS, BCL6 OR51E2 2934/4885CRBN 3877/4885FKBP5 4003/4885
US-20160287728-A1 NON-INVASIVE DIAGNOSTIC AGENTS AND METHODS OF DIAGNOSING INFECTIOUS DISEASE MALT1, MAVS, BCL6 OR51E2 2934/4885CRBN 3877/4885FKBP5 4003/4885
US-20180369430-A1 METHOD OF DIAGNOSING AND/OR MONITORING THERAPY OF ATHEROSCLEROSIS PCSK9, MMP12, LCLAT1 OR51E2 3131/4885CRBN 2658/4885FKBP5 1559/4885
US-20110117014-A1 NON-INVASIVE DIAGNOSTIC AGENTS AND METHODS OF DIAGNOSING INFECTIOUS DISEASE MALT1, BCL6, IRF3 OR51E2 4147/4885CRBN 2813/4885FKBP5 3294/4885
US-20070048216-A1 Non-invasive diagnostic agents of cancer and methods of diagnosing cancer, especially leukemia and lymphoma MCL1, BCL3, BCL9 OR51E2 4615/4885CRBN 2599/4885FKBP5 3703/4885
US-20160324993-A1 NON-INVASIVE DIAGNOSTIC AGENTS OF CANCER AND METHODS OF DIAGNOSING CANCER, ESPECIALLY LEUKEMIA AND LYMPHOMA MCL1, BCL3, BCL9 OR51E2 4615/4885CRBN 2599/4885FKBP5 3703/4885
US-20130216478-A1 Non-Invasive Diagnostic Agents of Cancer and Methods of Diagnosing Cancer, Especially Leukemia and Lymphoma MCL1, BCL3, BCL9 OR51E2 4615/4885CRBN 2599/4885FKBP5 3703/4885
US-10744214-B2 Method of diagnosing and/or monitoring therapy of atherosclerosis PCSK9, MMP12, LCLAT1 OR51E2 3131/4885CRBN 2658/4885FKBP5 1559/4885

“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.