SCHEMBL4573507

SCHEMBL4573507

O=C(O)C1NCCc2cc(O)ccc21

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
MAPKAPK2 P49137 1/20 0.51
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
KDM1A O60341 8/20 0.46
DRD2 P14416 3/20 0.42
DRD4 P21917 2/20 0.42
DRD1 P21728 1/20 0.41

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
SCHEMBL29731083 0.89 TSHR (0.64) TSHRNPSR1MAPKAPK2CA1CA2
SCHEMBL825633 0.89 TSHR (0.64) TSHRNPSR1MAPKAPK2CA1CA2
SCHEMBL15568933 0.86 TSHR (0.60) TSHRNPSR1MAPKAPK2KDM1ADRD2
SCHEMBL15568148 0.83 TSHR (0.60) TSHRNPSR1MAPKAPK2KDM1A
SCHEMBL30561807 0.83 TSHR (0.60) TSHRNPSR1KDM1ADRD2
SCHEMBL25373658 0.83 TSHR (0.60) TSHRNPSR1KDM1ADRD2
SCHEMBL27969800 0.83 TSHR (0.60) TSHRNPSR1KDM1A
SCHEMBL7124159 0.82 CA1 (0.46) TSHRNPSR1MAPKAPK2CA1CA2
SCHEMBL28143019 0.81 DRD2 (0.59) TSHRNPSR1KDM1ADRD2DRD4
Hydrochloric Acid SCHEMBL15568877 0.81 TSHR (0.63) TSHRNPSR1MAPKAPK2KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3998260-B1 SGC STIMULATORS CYCLERION THERAPEUTICS INC (US) 2023-11-01 EP disclosed
CN-109369635-B Compound or pharmaceutically acceptable salt thereof, application thereof and pharmaceutical composition 赛克里翁治疗有限公司 2023-06-30 CN disclosed
US-20230106002-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. 2023-04-06 US disclosed
CN-109384778-B Use of a compound or a pharmaceutically acceptable salt thereof for the manufacture of a medicament for the treatment of a disease, health condition or disorder 赛克里翁治疗有限公司 2022-12-13 CN disclosed
CN-110016020-B Compound or pharmaceutically acceptable salt thereof, application and pharmaceutical composition thereof 赛克里翁治疗有限公司 2022-07-26 CN disclosed
EP-3998260-A1 SGC STIMULATORS Cyclerion Therapeutics, Inc. (US) 2022-05-18 EP disclosed
EP-3660013-B1 SGC STIMULATORS CYCLERION THERAPEUTICS INC (US) 2022-01-19 EP disclosed
US-11207323-B2 sGC stimulators CYCLERION THERAPEUTICS, INC. (US) 2021-12-28 US disclosed
CN-108912111-B Compounds and pharmaceutical compositions 赛克里翁治疗有限公司 2021-09-14 CN disclosed
US-20200316065-A1 sGC STIMULATORS CYCLERION THERAPEUTICS, INC. 2020-10-08 US disclosed
US-9481689-B2 sGC stimulators IRONWOOD PHARMACEUTICALS, INC. (US) 2016-11-01 US disclosed
CN-105408328-A sGC stimulators IRONWOOD PHARMACEUTICALS INC 2016-03-16 CN disclosed
US-20160031903-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2016-02-04 US disclosed
EP-2970243-A2 SGC STIMULATORS Ironwood Pharmaceuticals, Inc. (US) 2016-01-20 EP disclosed
WO-2014144100-A2 SGC STIMULATORS NAKAI TAKASHI (US) 2014-09-18 WO disclosed
US-20080200454-A1 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. 2008-08-21 US disclosed
WO-2008100618-A2 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. (US) 2008-08-21 WO disclosed
US-6664250-B2 Cardiovascular disorders BRISTOL-MYERS SQUIBB CO. 2003-12-16 US disclosed
US-20030114438-A1 Lactam derivatives as antiarrhythmic agents S ATWAL KARNAIL (US) 2003-06-19 US disclosed
US-6262068-B1 ISOQUINOLONES BRISTOL-MYERS SQUIBB COMPANY 2001-07-17 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 (6 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-20230106002-A1 sGC STIMULATORS PTGIS, CGAS, GUCY1A1 TSHR 1687/4885NPSR1 1663/4885MAPKAPK2 1384/4885
US-11207323-B2 sGC stimulators PTGIS, CGAS, GUCY1A1 TSHR 1687/4885NPSR1 1663/4885MAPKAPK2 1384/4885
US-20080200454-A1 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S CTSS, CTSK, CTSZ TSHR 3648/4885NPSR1 633/4885MAPKAPK2 1353/4885
US-20030114438-A1 Lactam derivatives as antiarrhythmic agents NPR3, SCN3A, NRDC TSHR 1272/4885NPSR1 811/4885MAPKAPK2 3921/4885
US-20160031903-A1 sGC STIMULATORS PTGIS, CGAS, GUCY1A1 TSHR 1687/4885NPSR1 1663/4885MAPKAPK2 1384/4885
US-20200316065-A1 sGC STIMULATORS PTGIS, CGAS, GUCY1A1 TSHR 1687/4885NPSR1 1663/4885MAPKAPK2 1384/4885

“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.