SCHEMBL4618155

SCHEMBL4618155

CCC(CC)(CN)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
CYP1A2 P05177 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.38
THRB P10828 1/20 0.38
KDM4E B2RXH2 2/20 0.37
FFAR3 O14843 1/20 0.33
GLRA1 P23415 1/20 0.33
SLC6A9 P48067 1/20 0.33
OR51E2 Q9H255 1/20 0.33
GRM2 Q14416 1/20 0.33
GRM3 Q14832 1/20 0.33
ARG1 P05089 1/20 0.32
ARG2 P78540 1/20 0.32
ODC1 P11926 2/20 0.32
TSHR P16473 2/20 0.32
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL3543643 0.85 MEN1 (0.38) MEN1CYP1A2KMT2AALDH1A1THRB
SCHEMBL173322 0.82 FFAR3 (0.41) MEN1CYP1A2KMT2AALDH1A1THRB
SCHEMBL27834194 0.82 CYP4F2 (0.36) CYP1A2ALDH1A1LMNA
SCHEMBL9560658 0.81 MEN1 (0.41) MEN1CYP1A2KMT2AALDH1A1THRB
SCHEMBL13255608 0.80 MEN1 (0.33) MEN1CYP1A2KMT2AALDH1A1THRB
SCHEMBL6818431 0.79 FFAR3 (0.39) MEN1CYP1A2KMT2AALDH1A1THRB
SCHEMBL28210395 0.79 FFAR3 (0.39) MEN1CYP1A2KMT2AALDH1A1THRB
SCHEMBL27684861 0.79 FFAR3 (0.39) MEN1CYP1A2KMT2AALDH1A1THRB
Ammonia Solution, Strong SCHEMBL9700926 0.79 FFAR3 (0.39) MEN1CYP1A2KMT2AALDH1A1THRB
SCHEMBL27899335 0.79 FFAR3 (0.39) MEN1CYP1A2KMT2AALDH1A1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4296867-A None JP disclosed
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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US 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
US-20160347738-A1 sGC STIMULATORS CYCLERION THERAPEUTICS, INC. 2016-12-01 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
WO-2008034119-A2 POLYALKYLENE OXIDES HAVING HINDERED ESTER-BASED BIODEGRADABLE LINKERS ENZON PHARMACEUTICALS, INC. (US) 2008-03-20 WO disclosed
EP-1880711-A1 PARAKERATOSIS INHIBITOR, PORE-SHRINKING AGENT AND EXTERNAL COMPOSITION FOR SKIN Shiseido Company, Limited (JP) 2008-01-23 EP disclosed
WO-1999015694-A1 COREACTANT-INCLUDING ELECTROCHEMILUMINESCENT COMPOUNDS, METHODS, SYSTEMS AND KITS UTILIZING SAME IGEN INTERNATIONAL, INC. (US) 1999-04-01 WO disclosed
JP-H04296867-A PHOTOCONDUCTOR FOR ELECTROPHOTOGRAPHY MITSUBISHI KASEI CORP 1992-10-21 JP 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-20230106002-A1 sGC STIMULATORS PTGIS, CGAS, GUCY1A1 MEN1 2447/4885CYP1A2 872/4885KMT2A 4250/4885
US-11207323-B2 sGC stimulators PTGIS, CGAS, GUCY1A1 MEN1 2447/4885CYP1A2 872/4885KMT2A 4250/4885
US-20160347738-A1 sGC STIMULATORS PTGIS, CGAS, GUCY1A1 MEN1 2447/4885CYP1A2 872/4885KMT2A 4250/4885
US-20160031903-A1 sGC STIMULATORS PTGIS, CGAS, GUCY1A1 MEN1 2447/4885CYP1A2 872/4885KMT2A 4250/4885

“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.