SCHEMBL483473

SCHEMBL483473

CC(C)(C)OC(=O)N1[C@@H](c2cccc(O)c2)CC[C@]12CCNC2=O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 5/20 0.38
RXRA P19793 4/20 0.38
NR1H3 Q13133 4/20 0.38
KIF11 P52732 4/20 0.35
PRKCZ Q05513 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
DDB1 Q16531 2/20 0.34
CRBN Q96SW2 2/20 0.34
OPRK1 P41145 1/20 0.34
POLB P06746 1/20 0.34
BACE1 P56817 2/20 0.33
ROCK2 O75116 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
SCHEMBL483138 0.87 DDB1 (0.36) NR1H2RXRANR1H3MAPK1DDB1
SCHEMBL310424 0.87 DDB1 (0.36) NR1H2RXRANR1H3MAPK1DDB1
SCHEMBL2837258 0.84 KIF11 (0.37) KIF11ALDH1A1ALOX15MAPK1HSD17B10
SCHEMBL483533 0.82 F2 (0.39)
SCHEMBL483148 0.81 DDB1 (0.37) NR1H2RXRANR1H3ALDH1A1ALOX15
SCHEMBL483225 0.77 SCN3A (0.39)
SCHEMBL483538 0.77 SCN3A (0.39)
SCHEMBL310836 0.76 KCNH2 (0.48)
SCHEMBL10167529 0.76 KCNH2 (0.38)
SCHEMBL483562 0.76 KCNH2 (0.48)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153623-B2 Compounds Convergence Pharmaceuticals Limited (GB) 2012-04-10 US disclosed
US-8153623-B2 Compounds Convergence Pharmaceuticals Limited (GB) 2012-04-10 US disclosed
US-8153623-B2 Compounds Convergence Pharmaceuticals Limited (GB) 2012-04-10 US disclosed
EP-1934176-B1 QUATERNARY ALPHA-AMINOCARBOXAMIDE DERIVATIVES AS MODULATORS OF VOLTAGE-GATED SODIUM CHANNELS GLAXO GROUP LTD (GB) 2012-02-01 EP disclosed
US-20100324022-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-12-23 US disclosed
US-20100324022-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-12-23 US disclosed
US-7803833-B2 Compounds GLAXO GROUP LIMITED (GB) 2010-09-28 US disclosed
US-7803833-B2 Compounds GLAXO GROUP LIMITED (GB) 2010-09-28 US disclosed
US-20080293753-A1 Novel Compounds Convergence Pharmaceuticals Limited (GB) 2008-11-27 US disclosed
US-20080293753-A1 Novel Compounds Convergence Pharmaceuticals Limited (GB) 2008-11-27 US 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-20100324022-A1 NOVEL COMPOUNDS CYP46A1, NPC1, CYP11B1 NR1H2 15/4885RXRA 1335/4885NR1H3 27/4885
US-20080293753-A1 Novel Compounds CACNA1E, CACNA1A, SCN1B NR1H2 2445/4885RXRA 2780/4885NR1H3 2885/4885

“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.