SCHEMBL16531925

SCHEMBL16531925

CCCN/C(=N\CC)NC

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.40
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
EPHX1 P07099 1/20 0.32
NOS1 P29475 1/20 0.32
MCL1 Q07820 1/20 0.31
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30
GRIN3A Q8TCU5 1/20 0.30
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL25146322 0.91 KDM1A (0.44) KDM1AEPHX1GRIN2DGRIN3BGRIN1
SCHEMBL21432352 0.82 KDM1A (0.37) KDM1AEPHX1GRIN2DGRIN3BGRIN1
SCHEMBL19346909 0.80 KDM1A (0.36) KDM1AEPHX1GRIN2DGRIN3BGRIN1
SCHEMBL14219765 0.80
SCHEMBL16573360 0.80
SCHEMBL14204181 0.79
SCHEMBL8741216 0.78
SCHEMBL23373220 0.78 KDM1A (0.35) KDM1A
SCHEMBL19080650 0.74 DNM1 (0.42) KDM1A
SCHEMBL22645875 0.73 MCL1 (0.39) KDM1AMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239805-A1 AZA-YANG CYCLIZATION-BUCHNER AROMATIC RING EXPANSION: COLLECTIVE SYNTHESIS OF CYCLOHEPTATRIENE-CONTAINING AZETIDINE LACTONES UNIVERSITY OF KANSAS 2024-07-18 US disclosed
US-20240239805-A1 AZA-YANG CYCLIZATION-BUCHNER AROMATIC RING EXPANSION: COLLECTIVE SYNTHESIS OF CYCLOHEPTATRIENE-CONTAINING AZETIDINE LACTONES UNIVERSITY OF KANSAS 2024-07-18 US disclosed
US-12024515-B2 Kifunensine derivatives UNIVERSITY OF KANSAS (US) 2024-07-02 US disclosed
WO-2024077087-A2 M24B AMINOPEPTIDASE INHIBITORS FOR CARDS INFLAMMASOME ACTIVATION MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2024-04-11 WO disclosed
WO-2024006287-A2 ANTIVIRAL COMPOUNDS USEFUL AGAINST SARS-COV-2 UNIVERSITY OF KANSAS (US) 2024-01-04 WO disclosed
WO-2023239789-A1 TRICYCLIC PHTHALAZINONE PARP INHIBITORS AND METHODS OF USE VALO HEALTH, INC. (US) 2023-12-14 WO disclosed
US-11834489-B2 Methods for quantifying ligand efficacy in G-protein coupled receptors using single-molecule fluorescence energy transfer CORNELL UNIVERSITY (US) 2023-12-05 US disclosed
US-11834489-B2 Methods for quantifying ligand efficacy in G-protein coupled receptors using single-molecule fluorescence energy transfer CORNELL UNIVERSITY (US) 2023-12-05 US disclosed
US-20230372550-A1 MACROCYCLIC COMPLEXES OF ALPHA-EMITTING RADIONUCLIDES AND THEIR USE IN TARGETED RADIOTHERAPY OF CANCER CORNELL UNIVERSITY (US) 2023-11-23 US disclosed
US-20230372551-A1 RADIOLABELED LIGANDS FOR TARGETED PET/SPECT IMAGING AND METHODS OF THEIR USE MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2023-11-23 US disclosed
US-20170260141-A1 ANTAGONISTS OF THE KAPPA OPIOID RECEPTOR UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2017-09-14 US disclosed
US-20170114050-A1 N-Acylethanolamine Hydrolyzing Acid Amidase (NAAA) Inhibitors And Their Use Thereof NORTHEASTERN UNIVERSITY 2017-04-27 US disclosed
US-20170114050-A1 N-Acylethanolamine Hydrolyzing Acid Amidase (NAAA) Inhibitors And Their Use Thereof NORTHEASTERN UNIVERSITY 2017-04-27 US disclosed
WO-2017053604-A1 POTENT ANTIVIRAL PYRAZOLOPYRIDINE COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-03-30 WO disclosed
US-20160377946-A1 ELECTROCHROMIC THERMOPLASTICS, DEVICES, AND COMPOSITES GENTEX CORPORATION 2016-12-29 US disclosed
US-20160194284-A1 ALLOSTERIC MODULATORS OF THE CANNABINOID 1 RECEPTOR NORTHEASTERN UNIVERSITY (US) 2016-07-07 US disclosed
US-20160194284-A1 ALLOSTERIC MODULATORS OF THE CANNABINOID 1 RECEPTOR NORTHEASTERN UNIVERSITY (US) 2016-07-07 US disclosed
US-20160146751-A1 MEMBRANES FOR USE IN ELECTROCHEMICAL SENSORS AND ASSOCIATED DEVICES GENTEX CORPORATION 2016-05-26 US disclosed
WO-2015179190-A1 N-ACYLETHANOLAMINE HYDROLYZING ACID AMIDASE (NAAA) INHIBITORS AND THEIR USE THEREOF NORTHEASTERN UNIVERSITY (US) 2015-11-26 WO disclosed
WO-2015027160-A2 ALLOSTERIC MODULATORS OF THE CANNIBINOID 1 RECEPTOR NORTHEASTERN UNIVERSITY (US) 2015-02-26 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 (8 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-20240239805-A1 AZA-YANG CYCLIZATION-BUCHNER AROMATIC RING EXPANSION: COLLECTIVE SYNTHESIS OF CYCLOHEPTATRIENE-CONTAINING AZETIDINE LACTONES AZI2, NISCH, TET2 KDM1A 817/4885MMP1 2549/4885MMP2 1532/4885
US-20160194284-A1 ALLOSTERIC MODULATORS OF THE CANNABINOID 1 RECEPTOR CNR1, CNR2, GPR119 KDM1A 1076/4885MMP1 4846/4885MMP2 4507/4885
US-11834489-B2 Methods for quantifying ligand efficacy in G-protein coupled receptors using single-molecule fluorescence energy transfer GPR3, GPR4, GPR68 KDM1A 4293/4885MMP1 4793/4885MMP2 4858/4885
US-20230372550-A1 MACROCYCLIC COMPLEXES OF ALPHA-EMITTING RADIONUCLIDES AND THEIR USE IN TARGETED RADIOTHERAPY OF CANCER PSMA7, SLC39A14, ARCN1 KDM1A 4019/4885MMP1 3566/4885MMP2 2221/4885
US-20170114050-A1 N-Acylethanolamine Hydrolyzing Acid Amidase (NAAA) Inhibitors And Their Use Thereof NAAA, NAT1, NIT2 KDM1A 1883/4885MMP1 1217/4885MMP2 384/4885
US-20170260141-A1 ANTAGONISTS OF THE KAPPA OPIOID RECEPTOR OPRK1, OPRD1, OPRL1 KDM1A 3674/4885MMP1 4352/4885MMP2 2895/4885
US-20230372551-A1 RADIOLABELED LIGANDS FOR TARGETED PET/SPECT IMAGING AND METHODS OF THEIR USE MPI, FOLH1, GRPR KDM1A 4879/4885MMP1 3307/4885MMP2 2525/4885
US-12024515-B2 Kifunensine derivatives MAN2B1, MAN2A1, MANBA KDM1A 957/4885MMP1 688/4885MMP2 196/4885

“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.