SCHEMBL5206646

SCHEMBL5206646

O=C(O)[C@H]1NCCC1c1ccc(O)cc1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 1/20 0.44
OPRD1 P41143 2/20 0.40
MEN1 O00255 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM1A O60341 1/20 0.37
ESR2 Q92731 1/20 0.37

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
SCHEMBL5206643 1.00 SLC1A2 (0.44) SLC1A2OPRD1MEN1BLMKMT2A
SCHEMBL22926349 1.00 SLC1A2 (0.44) SLC1A2OPRD1MEN1BLMKMT2A
Bromide SCHEMBL23492942 0.98 SLC1A2 (0.43) SLC1A2OPRD1MEN1BLMKMT2A
Bromide SCHEMBL23492943 0.98 SLC1A2 (0.43) SLC1A2OPRD1MEN1BLMKMT2A
SCHEMBL199462 0.86 SLC1A2 (0.47) SLC1A2MEN1BLMKMT2A
SCHEMBL199461 0.86 SLC1A2 (0.47) SLC1A2MEN1BLMKMT2A
SCHEMBL4780406 0.86 SLC1A2 (0.47) SLC1A2MEN1BLMKMT2A
SCHEMBL350996 0.86 SLC1A2 (0.47) SLC1A2MEN1BLMKMT2A
SCHEMBL199463 0.86 SLC1A2 (0.47) SLC1A2MEN1BLMKMT2A
SCHEMBL5203561 0.86 SLC1A2 (0.47) SLC1A2MEN1BLMKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1988009507-A1 A METHOD OF DETERMINING THE PRESENCE OF ENDOTOXIN IN A SAMPLE BAEK LEIF (DK) 1988-12-01 WO claimed
US-11147812-B2 Tyrosine analogues derivatives as Rho-kinase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2021-10-19 US disclosed
EP-3679039-B1 TYROSINE ANALOGUES DERIVATIVES AS RHO- KINASE INHIBITORS CHIESI FARM SPA (IT) 2021-06-16 EP disclosed
US-20210023080-A1 TYROSINE ANALOGUES DERIVATIVES AS RHO-KINASE INHIBITORS CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) 2021-01-28 US disclosed
WO-2019048479-A1 TYROSINE ANALOGUES DERIVATIVES AS RHO- KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2019-03-14 WO disclosed
US-20160311934-A1 HYDROXYALKYL STARCH DERIVATIVES AS REACTANTS FOR COUPLING TO THIOL GROUPS FRESENIUS KABI DEUTSCHLAND GMBH (DE) 2016-10-27 US disclosed
EP-1389200-A4 SUBSTITUTED N-ARYLSULFONYL-PROLINE DERIVATIVES AS POTENT CELL ADHESION INHIBITORS MERCK & CO INC (US) 2007-03-28 EP disclosed
US-6943180-B2 Substituted N-arylsulfonyl-proline derivatives as potent cell adhesion inhibitors MERCK & CO., INC. (US) 2005-09-13 US disclosed
US-20040102478-A1 Substituted n-arylsulfonyl-proline derivatives as potent cell adhesion inhibitors MERCK & CO., INC. 2004-05-27 US disclosed
EP-1389200-A1 SUBSTITUTED N-ARYLSULFONYL-PROLINE DERIVATIVES AS POTENT CELL ADHESION INHIBITORS Merck & Co., Inc. (US) 2004-02-18 EP disclosed
WO-2002074761-A1 SUBSTITUTED N-ARYLSULFONYL-PROLINE DERIVATIVES AS POTENT CELL ADHESION INHIBITORS MERCK & CO., INC. (US) 2002-09-26 WO disclosed
EP-0530252-A4 AMINOALKYLCARBAMYL DERIVATIVES OF FORSKOLIN AS INTERMEDIATES FOR THE SYNTHESIS OF USEFUL FORSKOLIN DERIVATIVES US HEALTH (US) 1993-09-01 EP disclosed
EP-0530252-A1 AMINOALKYLCARBAMYL DERIVATIVES OF FORSKOLIN AS INTERMEDIATES FOR THE SYNTHESIS OF USEFUL FORSKOLIN DERIVATIVES THE UNITED STATES OF AMERICA as represented by the Secretary UNITED STATES DEPARTMENT OF COMMERCE (US) 1993-03-10 EP disclosed
WO-1991019733-A1 DERIVATIVES OF TETRAPEPTIDES AS CCK AGONISTS ABBOTT LABORATORIES (US) 1991-12-26 WO disclosed
WO-1991017154-A1 AMINOALKYLCARBAMYL DERIVATIVES OF FORSKOLIN AS INTERMEDIATES FOR THE SYNTHESIS OF USEFUL FORSKOLIN DERIVATIVES THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, UNITED STATES DEPARTMENT OF COMMERCE (US) 1991-11-14 WO disclosed
EP-0310918-A2 Peptide-like amino-acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1989-04-12 EP 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 (4 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-20160311934-A1 HYDROXYALKYL STARCH DERIVATIVES AS REACTANTS FOR COUPLING TO THIOL GROUPS MSR1, C3AR1, C1R SLC1A2 4311/4885OPRD1 2855/4885MEN1 1765/4885
US-20210023080-A1 TYROSINE ANALOGUES DERIVATIVES AS RHO-KINASE INHIBITORS ROCK1, ROCK2, RHOA SLC1A2 4041/4885OPRD1 3750/4885MEN1 3518/4885
US-11147812-B2 Tyrosine analogues derivatives as Rho-kinase inhibitors ROCK1, ROCK2, RHOA SLC1A2 4041/4885OPRD1 3750/4885MEN1 3518/4885
US-20040102478-A1 Substituted n-arylsulfonyl-proline derivatives as potent cell adhesion inhibitors VCAM1, CD4, ICAM1 SLC1A2 639/4885OPRD1 3448/4885MEN1 353/4885

“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.