SCHEMBL19253162

SCHEMBL19253162

C[C@@]12CCC[C@H]1[C@@H]1CC[C@@H]3C[C@H](OS(=O)(=O)O[C@@H]4CC[C@@]5(C)[C@H](CC[C@H]6[C@@H]7CCC[C@@]7(C)CC[C@@H]65)C4)CC[C@]3(C)[C@H]1CC2

nearest known ligand 0.82

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 13/20 0.82
GRIN2B Q13224 13/20 0.82
CDK5 Q00535 1/20 0.61
CDK5R1 Q15078 1/20 0.61
NR1I3 Q14994 1/20 0.61
GRIN2D O15399 2/20 0.57
GRIN2A Q12879 2/20 0.57
GRIN2C Q14957 2/20 0.57
MAPK1 P28482 1/20 0.53

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
SCHEMBL19733259 1.00 GRIN1 (0.82) GRIN1GRIN2BCDK5CDK5R1NR1I3
SCHEMBL19253232 1.00 GRIN1 (0.82) GRIN1GRIN2BCDK5CDK5R1NR1I3
SCHEMBL19253181 1.00 GRIN1 (0.82) GRIN1GRIN2BCDK5CDK5R1NR1I3
SCHEMBL19253199 0.96 GRIN1 (0.77) GRIN1GRIN2BCDK5CDK5R1NR1I3
SCHEMBL19253183 0.90 GRIN1 (1.00) GRIN1GRIN2BNR1I3GRIN2DGRIN2A
SCHEMBL19253164 0.90 GRIN1 (1.00) GRIN1GRIN2BNR1I3GRIN2DGRIN2A
SCHEMBL19733260 0.90 GRIN1 (1.00) GRIN1GRIN2BNR1I3GRIN2DGRIN2A
SCHEMBL19253233 0.90 GRIN1 (1.00) GRIN1GRIN2BNR1I3GRIN2DGRIN2A
SCHEMBL4931770 0.84 GRIN1 (0.70) GRIN1GRIN2BCDK5CDK5R1NR1I3
SCHEMBL4931779 0.84 GRIN1 (0.70) GRIN1GRIN2BCDK5CDK5R1NR1I3

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
EP-3186267-B1 AMPHIPHILIC COMPOUNDS WITH NEUROPROTECTIVE PROPERTIES USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR V V I (CZ) 2019-10-02 EP claimed
US-10017535-B2 Amphiphilic compounds with neuroprotective properties USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR, V.V.I. (CZ) 2018-07-10 US claimed
US-20170240588-A1 AMPHIPHILIC COMPOUNDS WITH NEUROPROTECTIVE PROPERTIES USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR, V.V.I. (CZ) 2017-08-24 US claimed
EP-3186267-B1 AMPHIPHILIC COMPOUNDS WITH NEUROPROTECTIVE PROPERTIES USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR V V I (CZ) 2019-10-02 EP disclosed
US-10017535-B2 Amphiphilic compounds with neuroprotective properties USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR, V.V.I. (CZ) 2018-07-10 US disclosed
EP-3260462-A1 AMPHIPHILIC COMPOUNDS WITH NEUROPROTECTIVE PROPERTIES Ustav Organicke Chemie A Biochemie Av Cr, V.v.i. (CZ) 2017-12-27 EP 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-20170240588-A1 AMPHIPHILIC COMPOUNDS WITH NEUROPROTECTIVE PROPERTIES GAP43, GRIN2A, GRIN3A GRIN1 14/4885GRIN2B 8/4885CDK5 2779/4885
US-10017535-B2 Amphiphilic compounds with neuroprotective properties GAP43, GRIN2A, GRIN3A GRIN1 14/4885GRIN2B 8/4885CDK5 2779/4885

“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.