SCHEMBL734651

SCHEMBL734651

O=C(O)NCC1CNCCO1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.45
SLC6A2 P23975 12/20 0.41
SLC6A4 P31645 8/20 0.41
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HPGD P15428 2/20 0.36
TP53 P04637 1/20 0.36
ALOX12 P18054 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
SLC6A3 Q01959 5/20 0.35

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
SCHEMBL22776149 1.00 CHEK1 (0.45) CHEK1SLC6A2SLC6A4USP2SMN1; SMN2
SCHEMBL4146870 1.00 CHEK1 (0.45) CHEK1SLC6A2SLC6A4USP2SMN1; SMN2
Hydrochloric Acid SCHEMBL19692370 0.98 CHEK1 (0.44) CHEK1SLC6A2SLC6A4USP2SMN1; SMN2
SCHEMBL15795818 0.84 BRD4 (0.39) CHEK1SLC6A2SLC6A4SLC6A3
SCHEMBL27326370 0.84 SLC6A2 (0.51) CHEK1SLC6A2SLC6A4USP2SMN1; SMN2
SCHEMBL17866282 0.84 CHEK1 (0.49) CHEK1SLC6A2SLC6A4USP2SMN1; SMN2
SCHEMBL16036125 0.84 SLC6A2 (0.51) CHEK1SLC6A2SLC6A4USP2SMN1; SMN2
SCHEMBL1501987 0.84 SLC6A2 (0.51) CHEK1SLC6A2SLC6A4USP2SMN1; SMN2
SCHEMBL16035265 0.83 USP2 (0.41) CHEK1SLC6A2SLC6A4USP2SMN1; SMN2
SCHEMBL28204462 0.83 USP2 (0.41) CHEK1SLC6A2SLC6A4USP2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228463-A1 SODIUM CHANNEL INHIBITORS AND METHODS OF DESIGNING SAME GENENTECH, INC. (US) 2024-07-11 US disclosed
WO-2024107434-A1 AUTOPHAGY INDUCING COMPOUNDS AND USES THEREOF Samsara Therapeutics Inc. (US) 2024-05-23 WO disclosed
US-11945822-B2 Pyrazolo-triazine and/or pyrazolo-pxrimidine derivatives as selective inhibitor of cyclin dependent kinase QURIENT CO., LTD. (KR) 2024-04-02 US disclosed
WO-2023235384-A1 COMPOUNDS FOR ENHANCING READ THROUGH OF GENES CONTAINING PREMATURE TERMINATION CODONS AND METHODS FOR MAKING AND USING THE SAME SANOFI US SERVICES INC. (US) 2023-12-07 WO disclosed
WO-2023164611-A1 MODULATORS OF MYC FAMILY PROTO-ONCOGENE PROTEIN NALO THERAPEUTICS (US) 2023-08-31 WO disclosed
US-20230159491-A1 Antimicrobial Compounds and Methods NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-05-25 US disclosed
EP-3898630-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2023-05-10 EP disclosed
WO-2023028077-A1 SODIUM CHANNEL INHIBITORS AND METHODS OF DESIGNING SAME GENENTECH, INC. (US) 2023-03-02 WO disclosed
US-20230022724-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-26 US disclosed
US-20230017532-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-19 US disclosed
US-20040058923-A1 Morpholin-acetamide derivatives for the treatment of inflammatory diseases SMITHKLINE BEECHAM CORPORATION 2004-03-25 US disclosed
US-20040058907-A1 Compounds useful in the treatment of inflammatory diseases GLAXO GROUP LIMITED (GB) 2004-03-25 US disclosed
WO-2003082292-A1 MORPHOLINE DERIVATIVES SUBSTITUTED AT THE 2-POSITION BY AN ARYLALKYLUREA GROUP FOR USE AS CCR-3 ANTAGONISTS IN THE TREATMENT OF INFLAMMATORY CONDITIONS GLAXO GROUP LIMITED (GB) 2003-10-09 WO disclosed
WO-2003082294-A1 MORPHOLINE DERIVATIVES WITH A SUBSTITUTED ACETAMIDE GROUP IN THE 2-POSITION FOR USE AS CCR-3 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2003-10-09 WO disclosed
WO-2003082861-A2 MORPHOLINYL-UREA DERIVATIVES FOR USE OF THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2003-10-09 WO disclosed
WO-2003076430-A1 AMINO-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2003-09-18 WO disclosed
EP-1324991-A1 COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2003-07-09 EP disclosed
EP-1324990-A1 MORPHOLIN-ACETAMIDE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2003-07-09 EP disclosed
WO-2002026722-A1 MORPHOLIN-ACETAMIDE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2002-04-04 WO disclosed
WO-2002026723-A1 COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2002-04-04 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 (7 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-20230022724-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 CHEK1 3290/4885SLC6A2 4632/4885SLC6A4 4534/4885
US-20230159491-A1 Antimicrobial Compounds and Methods MPO, NISCH, RPN2 CHEK1 4328/4885SLC6A2 3080/4885SLC6A4 3119/4885
US-20040058923-A1 Morpholin-acetamide derivatives for the treatment of inflammatory diseases CCR1, MALT1, REL CHEK1 2736/4885SLC6A2 4087/4885SLC6A4 4570/4885
US-20240228463-A1 SODIUM CHANNEL INHIBITORS AND METHODS OF DESIGNING SAME CACNA1I, CACNA1B, CACNA1C CHEK1 4550/4885SLC6A2 127/4885SLC6A4 175/4885
US-11945822-B2 Pyrazolo-triazine and/or pyrazolo-pxrimidine derivatives as selective inhibitor of cyclin dependent kinase CDK15, CDK1, CDK2 CHEK1 79/4885SLC6A2 4811/4885SLC6A4 4634/4885
US-20230017532-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 CHEK1 3381/4885SLC6A2 4661/4885SLC6A4 4526/4885
US-20040058907-A1 Compounds useful in the treatment of inflammatory diseases TNF, IL1B, IL4 CHEK1 4874/4885SLC6A2 4758/4885SLC6A4 4685/4885

“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.