SCHEMBL20064347

SCHEMBL20064347

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

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.40
OPRM1 P35372 1/20 0.40
OPRK1 P41145 1/20 0.40
SLC6A2 P23975 3/20 0.38
SLC6A4 P31645 3/20 0.38
SLC6A3 Q01959 3/20 0.38
GRM4 Q14833 1/20 0.38
SCN9A Q15858 3/20 0.37
EPHX2 P34913 1/20 0.36
EPAS1 Q99814 5/20 0.36
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
NOTUM Q6P988 1/20 0.35
VEGFA P15692 2/20 0.34
DGAT1 O75907 1/20 0.34
P2RX3 P56373 1/20 0.34
FFAR4 Q5NUL3 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
SCHEMBL21222291 1.00 KCNH2 (0.40) KCNH2OPRM1OPRK1SLC6A2SLC6A4
SCHEMBL21222414 0.89 EPHX2 (0.43) KCNH2OPRM1OPRK1SLC6A2SLC6A4
SCHEMBL21222415 0.89 EPHX2 (0.43) KCNH2OPRM1OPRK1SLC6A2SLC6A4
SCHEMBL20064281 0.84 EPHX2 (0.37) KCNH2OPRM1OPRK1SLC6A2SLC6A4
SCHEMBL20064217 0.77 SLC6A4 (0.57) KCNH2OPRM1OPRK1SLC6A2SLC6A4
SCHEMBL21222044 0.77 SLC6A2 (0.57) KCNH2OPRK1SLC6A2SLC6A4SLC6A3
SCHEMBL20064351 0.77 SLC6A2 (0.57) KCNH2OPRK1SLC6A2SLC6A4SLC6A3
SCHEMBL21222613 0.77 SLC6A4 (0.57) KCNH2OPRM1OPRK1SLC6A2SLC6A4
SCHEMBL31381271 0.77 SLC6A4 (0.57) KCNH2OPRM1OPRK1SLC6A2SLC6A4
SCHEMBL31381274 0.76 SLC6A4 (0.53) KCNH2SLC6A2SLC6A4SLC6A3EPHX2

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 KCNH2 3588/4885OPRM1 1138/4885OPRK1 1407/4885
US-20190241554-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS HPGDS, PTGDR, PTGER1 KCNH2 3588/4885OPRM1 1138/4885OPRK1 1407/4885

“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.