SCHEMBL18987609

SCHEMBL18987609

CC(C)(C)OC(=O)N[C@H]1CC[C@H](COCCCOS(C)(=O)=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.40
BTK Q06187 1/20 0.39
DRD3 P35462 2/20 0.37
KDM1A O60341 1/20 0.37
MAOB P27338 1/20 0.37
EPHX1 P07099 1/20 0.37
CTSK P43235 2/20 0.36
GAA P10253 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 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
SCHEMBL21107181 0.93 DRD2 (0.40) DRD2BTKDRD3KDM1AMAOB
SCHEMBL21070900 0.93 DRD2 (0.40) DRD2BTKDRD3KDM1AMAOB
SCHEMBL21070903 0.93 DRD2 (0.40) DRD2BTKDRD3KDM1AMAOB
SCHEMBL21071389 0.93 DRD2 (0.40) DRD2BTKDRD3KDM1AMAOB
SCHEMBL25982470 0.93 DRD2 (0.40) DRD2BTKDRD3KDM1AMAOB
SCHEMBL1498493 0.87 DRD2 (0.45) DRD2BTKDRD3KDM1AMAOB
SCHEMBL1498384 0.87 DRD2 (0.45) DRD2BTKDRD3KDM1AMAOB
SCHEMBL1498385 0.87 DRD2 (0.45) DRD2BTKDRD3KDM1AMAOB
SCHEMBL707674 0.86 DRD2 (0.46) DRD2BTKDRD3KDM1AMAOB
SCHEMBL1670919 0.86 DRD2 (0.46) DRD2BTKDRD3KDM1AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3390384-B1 QUINOLINE-3-CARBOXAMIDES AS H-PGDS INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2021-09-15 EP disclosed
EP-3390384-B1 QUINOLINE-3-CARBOXAMIDES AS H-PGDS INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2021-09-15 EP disclosed
US-20210238162-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-08-05 US disclosed
US-20210238162-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-08-05 US disclosed
EP-3390384-A1 QUINOLINE-3-CARBOXAMIDES AS H-PGDS INHIBITORS Astex Therapeutics Limited (GB) 2018-10-24 EP disclosed
WO-2017103851-A1 QUINOLINE-3-CARBOXAMIDES AS H-PGDS INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2017-06-22 WO disclosed
WO-2017103851-A1 QUINOLINE-3-CARBOXAMIDES AS H-PGDS INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2017-06-22 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 (1 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-20210238162-A1 CHEMICAL COMPOUNDS HPGDS, PTGS1, PTGIS DRD2 619/4885BTK 4035/4885DRD3 644/4885

“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.