SCHEMBL406540

SCHEMBL406540

CNC(=O)C1CCCN1C(C)=O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.45
F2 P00734 1/20 0.45
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PDK2 Q15119 1/20 0.41
TNKS O95271 1/20 0.39
POLB P06746 1/20 0.39
MAPK10 P53779 1/20 0.39
CPA1 P15085 1/20 0.39
CPA2 P48052 1/20 0.39
CPA4 Q9UI42 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
CHRM2 P08172 2/20 0.38
CHRM4 P08173 2/20 0.38
CHRM5 P08912 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38

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
SCHEMBL10136486 1.00 P2RX7 (0.45) P2RX7F2KDM4ESMN1; SMN2PDK2
SCHEMBL12258952 1.00 P2RX7 (0.45) P2RX7F2KDM4ESMN1; SMN2PDK2
SCHEMBL22040436 0.94 MAPK10 (0.43) P2RX7F2KDM4ESMN1; SMN2MAPK10
SCHEMBL16530314 0.85 KDM4E (0.44) F2KDM4ESMN1; SMN2PDK2POLB
SCHEMBL21075247 0.85 P2RX7 (0.45) P2RX7F2KDM4ESMN1; SMN2TNKS
SCHEMBL22980126 0.85 KDM4E (0.44) F2KDM4ESMN1; SMN2PDK2POLB
SCHEMBL4555085 0.85 KDM4E (0.44) F2KDM4ESMN1; SMN2PDK2POLB
SCHEMBL13554426 0.83 KDM4E (0.42) KDM4ESMN1; SMN2PDK2POLBNPSR1
SCHEMBL16104095 0.83 KDM4E (0.42) KDM4ESMN1; SMN2PDK2POLBNPSR1
SCHEMBL17069029 0.83 F2 (0.47) P2RX7F2KDM4ESMN1; SMN2TNKS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023146892-A1 BIPHENYL-SUBSTITUTED EPITHELIAL SODIUM CHANNEL BLOCKING COMPOUNDS PARION SCIENCES, INC. (US) 2023-08-03 WO disclosed
US-9687562-B2 Polymers having therapeutically active agents conjugated thereto, processes of preparing same and uses thereof RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2017-06-27 US disclosed
EP-3147279-A1 CAROTENOID DERIVATIVE, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICALLY ACCEPTABLE ESTER OR AMIDE THEREOF Fuji Chemical Industry Co., Ltd. (JP) 2017-03-29 EP disclosed
US-20160108400-A1 Single-Stranded Nucleic Acid Molecule for Controlling Gene Expression BONAC CORPORATION (JP) 2016-04-21 US disclosed
US-9206422-B2 Single-stranded nucleic acid molecule having nitrogen-containing alicyclic skeleton BONAC CORPORATION (JP) 2015-12-08 US disclosed
US-9200278-B2 Single-stranded nucleic acid molecule having nitrogen-containing alicyclic skeleton BONAC CORPORATION (JP) 2015-12-01 US disclosed
US-20150011605-A1 Single-Stranded Nucleic Acid Molecule for Controlling Gene Expression BONAC CORPORATION (JP) 2015-01-08 US disclosed
US-8785121-B2 Single-stranded nucleic acid molecule for controlling gene expression BONAC CORPORATION (JP) 2014-07-22 US disclosed
US-20140171633-A1 Single-Stranded Nucleic Acid Molecule Having Nitrogen-Containing Alicyclic Skeleton BONAC CORPORATION (JP) 2014-06-19 US disclosed
US-20140171486-A1 Single-Stranded Nucleic Acid Molecule Having Nitrogen-Containing Alicyclic Skeleton BONAC CORPORATION (JP) 2014-06-19 US disclosed
US-8691782-B2 Single-stranded nucleic acid molecule having nitrogen-containing alicyclic skeleton BONAC CORPORATION (JP) 2014-04-08 US disclosed
US-20140046021-A1 SELF-MAGNETIC METAL-SALEN COMPLEX COMPOUND IHI CORPORATION (JP) 2014-02-13 US disclosed
US-20120165309-A1 HETERO RING DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-28 US disclosed
US-20120064002-A1 Enantiomer-pure (4S,8S)- and (4R,8R)-4-p-Nitrobenzyl-8-methyl-3,6,9-triaza-3N,6N,9N-tricarboxymethyl-1,11-undecanedioic Acid and Derivatives Thereof, Process for their Production and Use for the Production of Pharmaceutical Agents LEHMANN LUTZ (DE) 2012-03-15 US disclosed
US-20120064002-A1 Enantiomer-pure (4S,8S)- and (4R,8R)-4-p-Nitrobenzyl-8-methyl-3,6,9-triaza-3N,6N,9N-tricarboxymethyl-1,11-undecanedioic Acid and Derivatives Thereof, Process for their Production and Use for the Production of Pharmaceutical Agents LEHMANN LUTZ (DE) 2012-03-15 US disclosed
US-20120035246-A1 SINGLE-STRANDED NUCLEIC ACID MOLECULE HAVING NITROGEN-CONTAINING ALICYCLIC SKELETON BONAC CORPORATION (JP) 2012-02-09 US disclosed
EP-2397479-A1 HETERO RING DERIVATIVE Astellas Pharma Inc. (JP) 2011-12-21 EP disclosed
WO-2010092962-A1 HETERO RING DERIVATIVE アステラス製薬株式会社 (JP) 2010-08-19 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 (5 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-20120165309-A1 HETERO RING DERIVATIVE IL2, PIK3R2, IL2RA P2RX7 947/4885F2 2851/4885KDM4E 3844/4885
US-20140046021-A1 SELF-MAGNETIC METAL-SALEN COMPLEX COMPOUND SSBP1, KCNN1, IMMT P2RX7 4299/4885F2 1948/4885KDM4E 3391/4885
US-20120064002-A1 Enantiomer-pure (4S,8S)- and (4R,8R)-4-p-Nitrobenzyl-8-methyl-3,6,9-triaza-3N,6N,9N-tricarboxymethyl-1,11-undecanedioic Acid and Derivatives Thereof, Process for their Production and Use for the Production of Pharmaceutical Agents CYP4B1, CYP2B6, UGT2B7 P2RX7 590/4885F2 1774/4885KDM4E 872/4885
US-20140171633-A1 Single-Stranded Nucleic Acid Molecule Having Nitrogen-Containing Alicyclic Skeleton NSUN2, CTDSP1, RNGTT P2RX7 3856/4885F2 4836/4885KDM4E 1652/4885
US-20120035246-A1 SINGLE-STRANDED NUCLEIC ACID MOLECULE HAVING NITROGEN-CONTAINING ALICYCLIC SKELETON NSUN2, CTDSP1, RNGTT P2RX7 3856/4885F2 4836/4885KDM4E 1652/4885

“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.