SCHEMBL20064207

SCHEMBL20064207

COC(=O)[C@H]1C[C@H](Oc2cc(F)cc(F)c2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.43
GRIN1 Q05586 2/20 0.39
GRIN2B Q13224 2/20 0.39
CHRNB2 P17787 2/20 0.39
CHRNA4 P43681 2/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA7 P36544 1/20 0.39
OPRM1 P35372 1/20 0.37
OPRK1 P41145 1/20 0.37
KCNH2 Q12809 1/20 0.37
SLC6A3 Q01959 3/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
FFAR4 Q5NUL3 4/20 0.34
SCN9A Q15858 1/20 0.33
FFAR1 O14842 1/20 0.33
MMP1 P03956 1/20 0.33
ADAM17 P78536 1/20 0.33
BRD4 O60885 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
SCHEMBL21222266 1.00 EPHX2 (0.43) EPHX2GRIN1GRIN2BCHRNB2CHRNA4
SCHEMBL20064281 0.90 EPHX2 (0.37) EPHX2GRIN1GRIN2BCHRNB2CHRNA4
SCHEMBL2474297 0.86 EPHX2 (0.48) EPHX2GRIN1GRIN2BFFAR4
SCHEMBL2474293 0.86 EPHX2 (0.48) EPHX2GRIN1GRIN2BFFAR4
SCHEMBL21222448 0.85 SLC6A2 (0.54) OPRK1KCNH2SLC6A3SLC6A2SLC6A4
SCHEMBL20064646 0.85 SLC6A2 (0.54) OPRK1KCNH2SLC6A3SLC6A2SLC6A4
SCHEMBL21222414 0.81 EPHX2 (0.43) EPHX2GRIN1GRIN2BOPRM1OPRK1
SCHEMBL21222415 0.81 EPHX2 (0.43) EPHX2GRIN1GRIN2BOPRM1OPRK1
SCHEMBL18042509 0.78 ALDH1A1 (0.39) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL16730157 0.78 ALDH1A1 (0.39) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7

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 EPHX2 436/4885GRIN1 1827/4885GRIN2B 1992/4885
US-20190241554-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS HPGDS, PTGDR, PTGER1 EPHX2 436/4885GRIN1 1827/4885GRIN2B 1992/4885

“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.