SCHEMBL20064287

SCHEMBL20064287

COC(=O)[C@H]1C[C@H](Oc2ccccc2Cl)C1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.53
SLC6A2 P23975 1/20 0.53
SLC6A3 Q01959 1/20 0.53
EPHX2 P34913 1/20 0.45
GRIN1 Q05586 1/20 0.42
GRIN2B Q13224 1/20 0.42
SCD O00767 2/20 0.42
RORC P51449 1/20 0.40
FFAR1 O14842 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 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
SCHEMBL21222001 1.00 SLC6A4 (0.53) SLC6A4SLC6A2SLC6A3EPHX2GRIN1
SCHEMBL21222436 0.86 EPHX2 (0.46) SLC6A4SLC6A2EPHX2FFAR1PDE4A
SCHEMBL20064643 0.86 EPHX2 (0.46) SLC6A4SLC6A2EPHX2FFAR1PDE4A
SCHEMBL21222069 0.84 SCD (0.43) SLC6A4SLC6A2SLC6A3SCD
SCHEMBL21222068 0.84 SCD (0.43) SLC6A4SLC6A2SLC6A3SCD
SCHEMBL21222515 0.84 SMN1; SMN2 (0.44) SLC6A3RORC
SCHEMBL20064623 0.84 SMN1; SMN2 (0.44) SLC6A3RORC
SCHEMBL24110729 0.83 ALDH1A1 (0.38) SLC6A4SLC6A2SLC6A3EPHX2SCD
SCHEMBL20064210 0.82 SLC6A4 (0.57) SLC6A4SLC6A2SLC6A3EPHX2GRIN1
SCHEMBL21222267 0.82 SLC6A4 (0.57) SLC6A4SLC6A2SLC6A3EPHX2GRIN1

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 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.