SCHEMBL4550235

SCHEMBL4550235

CCCN1CCC(C)(O)CC1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
S1PR1 P21453 2/20 0.41
S1PR3 Q99500 2/20 0.41
S1PR5 Q9H228 2/20 0.41
S1PR4 O95977 1/20 0.36
DRD2 P14416 5/20 0.35
SIGMAR1 Q99720 1/20 0.35
EPHX1 P07099 1/20 0.32
EPHX2 P34913 1/20 0.32

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
SCHEMBL30598272 0.86 HRH2 (0.41) KDM4ES1PR1S1PR3S1PR5S1PR4
SCHEMBL27393425 0.86 HRH2 (0.41) KDM4ES1PR1S1PR3S1PR5S1PR4
SCHEMBL24960426 0.86 HRH2 (0.41) KDM4ES1PR1S1PR3S1PR5S1PR4
SCHEMBL19606301 0.83 S1PR1 (0.60) S1PR1S1PR3S1PR5S1PR4SIGMAR1
SCHEMBL22096471 0.83 S1PR1 (0.60) S1PR1S1PR3S1PR5S1PR4SIGMAR1
SCHEMBL22096478 0.83 S1PR1 (0.60) S1PR1S1PR3S1PR5S1PR4SIGMAR1
SCHEMBL14968300 0.81 ALDH1A1 (0.41) KDM4ES1PR1S1PR3S1PR5DRD2
SCHEMBL7858206 0.80 KDM4E (0.40) KDM4ES1PR1S1PR3S1PR5DRD2
SCHEMBL9288623 0.80 KDM4E (0.42) KDM4ES1PR1S1PR3S1PR5DRD2
SCHEMBL16106910 0.79 S1PR1 (0.36) S1PR1S1PR3S1PR5S1PR4DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024147972-A2 DNA POLYMERASE THETA INHIBITORS CONTAINING NON-SATURATED 5-MEMBERED HETEROCYCLIC RINGS AND USE THEREOF THOMAS JEFFERSON UNIVERSITY (US) 2024-07-11 WO disclosed
US-11813260-B1 Benzamide compounds RECURIUM IP HOLDINGS, LLC (US) 2023-11-14 US disclosed
WO-2023171736-A1 MEDICINE CONTAINING VITAMIN D DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT OR SOLVATE THEREOF, USED IN COMBINATION WITH IMMUNOMODULATORY SUBSTANCE 帝人ファーマ株式会社 2023-09-14 WO disclosed
US-11344546-B2 Benzamide compounds Recurium IP Holding, LLC (US) 2022-05-31 US disclosed
WO-2022059684-A1 VITAMIN D DERIVATIVE HAVING CYCLIC AMINE IN SIDE CHAIN 帝人ファーマ株式会社 2022-03-24 WO disclosed
EP-3784666-B1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF MERCK PATENT GMBH (DE) 2022-03-16 EP disclosed
US-20210353610-A1 SMALL MOLECULE MENIN INHIBITORS SERVIER PHARMACEUTICALS LLC 2021-11-18 US disclosed
WO-2021067215-A1 PIPERIDINE COMPOUNDS AS MENIN INHIBITORS AGIOS PHARMACEUTICALS, INC. (US) 2021-04-08 WO disclosed
US-20210009543-A1 BENZAMIDE COMPOUNDS ZENO MANAGEMENT, INC. 2021-01-14 US disclosed
WO-2021000925-A1 PYRROLO [2, 3-b] PYRAZINES AS HPK1 INHIBITOR AND THE USE THEREOF BEIGENE, LTD. (KY) 2021-01-07 WO disclosed
US-20110105464-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2011-05-05 US disclosed
US-7893059-B2 Thiazolopyrimidine PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2011-02-22 US disclosed
US-7846929-B2 Using 1-(4-((2-(aminopyrimidin-5-yl)-4-morpholinothieno(3,2-d)pyrimidin-6-yl)methyl)piperazin-1-yl)-2-(methylsulfonyl)ethanone; lipid kinase inhibitor; anticancer agents ; antiinflammatory agents; antidiabetic agents GENENTECH, INC. (US) 2010-12-07 US disclosed
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE GENENTECH, INC. 2010-12-02 US disclosed
US-20100256356-A1 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2010-10-07 US disclosed
US-20100150831-A1 MODULATORS OF CXCR7 CHEMOCENTRYX, INC. (US) 2010-06-17 US disclosed
US-7723330-B2 Heterobicyclic pyrazole compounds and methods of use ARRAY BIOPHARMA INC. (US) 2010-05-25 US disclosed
US-20090118275-A1 THIAZOLOPYRIMIDINE P13K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2009-05-07 US disclosed
US-20080039459-A1 Phosphoinositide 3-kinase inhibitor compounds and methods of use PLRAMED LIMITED (GB) 2008-02-14 US disclosed
US-7326723-B2 Aralkyl-tetrahydro-pyridines, their preparation and pharmaceutical compositions containing same SANOFI-AVENTIS (FR) 2008-02-05 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-20210353610-A1 SMALL MOLECULE MENIN INHIBITORS MEN1, BRCA1, KRAS KDM4E 2679/4885S1PR1 1495/4885S1PR3 1965/4885
US-20110105464-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE PI4KB, PIK3CB, PIK3C2B KDM4E 3752/4885S1PR1 894/4885S1PR3 713/4885
US-11813260-B1 Benzamide compounds MKI67, TMBIM6, HDAC1 KDM4E 1396/4885S1PR1 2663/4885S1PR3 3236/4885
US-20100256356-A1 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ROR1, CYP11B1, CYP11B2 KDM4E 4855/4885S1PR1 2440/4885S1PR3 1850/4885
US-20080039459-A1 Phosphoinositide 3-kinase inhibitor compounds and methods of use PIK3CA, PI4KB, PI4KA KDM4E 3626/4885S1PR1 1099/4885S1PR3 710/4885
US-20090118275-A1 THIAZOLOPYRIMIDINE P13K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PI4KB, PI4KA KDM4E 2963/4885S1PR1 1229/4885S1PR3 1012/4885
US-20210009543-A1 BENZAMIDE COMPOUNDS MKI67, TMBIM6, HDAC1 KDM4E 1396/4885S1PR1 2663/4885S1PR3 3236/4885
US-11344546-B2 Benzamide compounds MKI67, TMBIM6, HDAC1 KDM4E 1396/4885S1PR1 2663/4885S1PR3 3236/4885
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PIK3CA, PIK3R2, PIK3CD KDM4E 4647/4885S1PR1 1437/4885S1PR3 1093/4885
US-20100150831-A1 MODULATORS OF CXCR7 CXCR1, CXCR5, CCR7 KDM4E 4510/4885S1PR1 713/4885S1PR3 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.