SCHEMBL20064633

SCHEMBL20064633

CC(C)(O)[C@H]1CC[C@H](NC(=O)[C@H]2C[C@H](Oc3cccc4c3OCC4)C2)CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
HPGDS O60760 5/20 0.35
PTGES O14684 1/20 0.35
EPHX2 P34913 1/20 0.34
PARP1 P09874 1/20 0.34
DRD2 P14416 5/20 0.34
HTR2A P28223 4/20 0.34
DRD3 P35462 4/20 0.34
ALDH1A1 P00352 1/20 0.34
ENPP2 Q13822 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33

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
SCHEMBL21222512 1.00 MTNR1A (0.39) MTNR1AMTNR1BHPGDSPTGESEPHX2
SCHEMBL20064724 0.81 HPGDS (0.44) MTNR1AMTNR1BHPGDSEPHX2ALDH1A1
SCHEMBL21222050 0.81 HPGDS (0.44) MTNR1AMTNR1BHPGDSEPHX2ALDH1A1
SCHEMBL21222471 0.79 PTGES (0.47) HPGDSPTGESEPHX2DRD2DRD3
SCHEMBL20064617 0.79 PTGES (0.47) HPGDSPTGESEPHX2DRD2DRD3
SCHEMBL21222553 0.78 DRD2 (0.39) HPGDSPTGESDRD2HTR2ADRD3
SCHEMBL20065617 0.78 DRD2 (0.39) HPGDSPTGESDRD2HTR2ADRD3
SCHEMBL21221977 0.77 HPGDS (0.45) HPGDSPTGES
SCHEMBL21222305 0.77 EPHX2 (0.43) HPGDSPTGESEPHX2
SCHEMBL21222302 0.77 EPHX2 (0.43) HPGDSPTGESEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11053234-B2 1,3 di-substituted cyclobutane or azetidine derivatives as hematopoietic prostaglandin D synthase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-07-06 US disclosed
US-11053234-B2 1,3 di-substituted cyclobutane or azetidine derivatives as hematopoietic prostaglandin D synthase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-07-06 US disclosed
US-20190241554-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-08-08 US disclosed
US-20190241554-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-08-08 US disclosed
WO-2018069863-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-04-19 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 (2 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-11053234-B2 1,3 di-substituted cyclobutane or azetidine derivatives as hematopoietic prostaglandin D synthase inhibitors HPGDS, PTGDR, PTGER1 MTNR1A 578/4885MTNR1B 273/4885HPGDS 1/4885
US-20190241554-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS HPGDS, PTGDR, PTGER1 MTNR1A 578/4885MTNR1B 273/4885HPGDS 1/4885

“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.