SCHEMBL20064646

SCHEMBL20064646

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

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.54
SLC6A4 P31645 2/20 0.54
SLC6A3 Q01959 2/20 0.54
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HRH3 Q9Y5N1 9/20 0.43
KCNH2 Q12809 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MGLL Q99685 1/20 0.42
ABHD6 Q9BV23 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.41
OPRK1 P41145 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL21222448 1.00 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL15463243 0.85 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL20064207 0.85 EPHX2 (0.43) SLC6A2SLC6A4SLC6A3KCNH2OPRK1
SCHEMBL21222266 0.85 EPHX2 (0.43) SLC6A2SLC6A4SLC6A3KCNH2OPRK1
SCHEMBL15462226 0.84 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL21222044 0.84 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL20064351 0.84 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL21222580 0.83 SLC6A4 (0.54) SLC6A2SLC6A4SLC6A3HRH3KCNH2
SCHEMBL21222668 0.83 SLC6A4 (0.54) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL21222666 0.83 SLC6A4 (0.54) SLC6A2SLC6A4SLC6A3MEN1KMT2A

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 SLC6A2 4258/4885SLC6A4 3998/4885SLC6A3 4142/4885
US-20190241554-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS HPGDS, PTGDR, PTGER1 SLC6A2 4258/4885SLC6A4 3998/4885SLC6A3 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.