SCHEMBL20064128

SCHEMBL20064128

COc1cc(F)ccc1O[C@H]1C[C@H](C(=O)OC)C1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.42
GLRB P48167 1/20 0.42
SLC6A3 Q01959 6/20 0.41
SLC6A2 P23975 5/20 0.41
SLC6A4 P31645 4/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.40
HTR2A P28223 2/20 0.39
HSD11B1 P28845 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
AMY1A P0DUB6 1/20 0.38

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
SCHEMBL21222564 1.00 GLRA3 (0.42) GLRA3GLRBSLC6A3SLC6A2SLC6A4
SCHEMBL21228016 0.94 POLB (0.45) GLRA3GLRBSLC6A3SLC6A2SLC6A4
SCHEMBL21222047 0.87 PDE4A (0.46) GLRA3GLRBCYP1A2CYP3A4CYP2C19
SCHEMBL20064203 0.87 PDE4A (0.46) GLRA3GLRBCYP1A2CYP3A4CYP2C19
SCHEMBL21222609 0.87 FFAR1 (0.41) SLC6A3SLC6A2SLC6A4
SCHEMBL21222608 0.87 FFAR1 (0.41) SLC6A3SLC6A2SLC6A4
SCHEMBL20064124 0.85 PDE4D (0.43) SLC6A3SLC6A2SLC6A4PDE4APDE4B
SCHEMBL21222626 0.85 PDE4D (0.43) SLC6A3SLC6A2SLC6A4PDE4APDE4B
SCHEMBL21222069 0.85 SCD (0.43) SLC6A3SLC6A2SLC6A4SMN1; SMN2
SCHEMBL21222068 0.85 SCD (0.43) SLC6A3SLC6A2SLC6A4SMN1; 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 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 GLRA3 1614/4885GLRB 1020/4885SLC6A3 4142/4885
US-20190241554-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS HPGDS, PTGDR, PTGER1 GLRA3 1614/4885GLRB 1020/4885SLC6A3 4142/4885

“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.