SCHEMBL20064217

SCHEMBL20064217

O=C(O)[C@H]1C[C@H](Oc2cccc(Cl)c2)C1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.57
SLC6A2 P23975 1/20 0.57
SLC6A3 Q01959 1/20 0.57
EPHX2 P34913 1/20 0.48
FFAR4 Q5NUL3 1/20 0.46
NOTUM Q6P988 1/20 0.44
S1PR1 P21453 1/20 0.42
S1PR5 Q9H228 1/20 0.42
KCNH2 Q12809 3/20 0.42
HRH3 Q9Y5N1 2/20 0.42
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
OPRK1 P41145 3/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL21222613 1.00 SLC6A4 (0.57) SLC6A4SLC6A2SLC6A3EPHX2FFAR4
SCHEMBL31381271 1.00 SLC6A4 (0.57) SLC6A4SLC6A2SLC6A3EPHX2FFAR4
SCHEMBL21227964 0.86 SLC6A4 (0.56) SLC6A4SLC6A2SLC6A3EPHX2FFAR4
SCHEMBL21222580 0.84 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3EPHX2FFAR4
SCHEMBL20064278 0.84 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3EPHX2FFAR4
SCHEMBL21227965 0.82 SLC6A4 (0.52) SLC6A4SLC6A2SLC6A3EPHX2FFAR4
SCHEMBL795203 0.81 SLC6A4 (0.52) SLC6A4SLC6A2SLC6A3EPHX2FFAR4
SCHEMBL15463242 0.81 SLC6A2 (0.57) SLC6A4SLC6A2SLC6A3EPHX2KCNH2
SCHEMBL15462228 0.81 SLC6A2 (0.57) SLC6A4SLC6A2SLC6A3EPHX2NOTUM
SCHEMBL21222044 0.81 SLC6A2 (0.57) SLC6A4SLC6A2SLC6A3FFAR4KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119497709-A Pyrimidine derivatives ASKA 制药株式会社 2025-02-21 CN 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-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 SLC6A4 3998/4885SLC6A2 4258/4885SLC6A3 4142/4885
US-20190241554-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS HPGDS, PTGDR, PTGER1 SLC6A4 3998/4885SLC6A2 4258/4885SLC6A3 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.