SCHEMBL20064635

SCHEMBL20064635

Cc1coc2c(O[C@H]3C[C@H](C(=O)N[C@H]4CC[C@H](C(C)(C)O)CC4)C3)cccc12

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 9/20 0.41
ENPP2 Q13822 3/20 0.38
PTGES O14684 1/20 0.38
DRD2 P14416 3/20 0.37
HTR2A P28223 2/20 0.37
DRD3 P35462 2/20 0.37
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
HPGDS O60760 2/20 0.34
EPHX2 P34913 1/20 0.32

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
SCHEMBL21222028 1.00 S1PR5 (0.41) S1PR5ENPP2PTGESDRD2HTR2A
SCHEMBL20065591 0.90 DRD2 (0.35) S1PR5ENPP2PTGESDRD2HTR2A
SCHEMBL21222460 0.90 DRD2 (0.35) S1PR5ENPP2PTGESDRD2HTR2A
SCHEMBL21222553 0.83 DRD2 (0.39) ENPP2PTGESDRD2HTR2ADRD3
SCHEMBL20065617 0.83 DRD2 (0.39) ENPP2PTGESDRD2HTR2ADRD3
SCHEMBL21222471 0.79 PTGES (0.47) PTGESDRD2DRD3HPGDSEPHX2
SCHEMBL20064617 0.79 PTGES (0.47) PTGESDRD2DRD3HPGDSEPHX2
SCHEMBL20064724 0.79 HPGDS (0.44) TLR8TLR7HPGDSEPHX2
SCHEMBL21222050 0.79 HPGDS (0.44) TLR8TLR7HPGDSEPHX2
SCHEMBL20064633 0.76 MTNR1A (0.39) ENPP2PTGESDRD2HTR2ADRD3

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
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 claimed
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 S1PR5 1055/4885ENPP2 150/4885PTGES 8/4885
US-20190241554-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS HPGDS, PTGDR, PTGER1 S1PR5 1055/4885ENPP2 150/4885PTGES 8/4885

“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.