SCHEMBL1104538

SCHEMBL1104538

CC(C)(C)OC(=O)N1[C@H](c2ccc(O)cc2)CC[C@]1(C)C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.37
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
PDE4B Q07343 5/20 0.35
ESR2 Q92731 2/20 0.34
LMNA P02545 1/20 0.34
PDE5A O76074 1/20 0.34
KDM1A O60341 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
RORC P51449 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34

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
SCHEMBL310810 1.00 GPR119 (0.37) GPR119DDB1CRBNPDE4BESR2
SCHEMBL29388249 0.89 GPR119 (0.38) GPR119DDB1CRBNESR2LMNA
SCHEMBL28285321 0.89 GPR119 (0.43) GPR119KDM1ARORC
SCHEMBL484710 0.83 YAP1 (0.46) MAOB
SCHEMBL311656 0.83 YAP1 (0.46) MAOB
SCHEMBL4765128 0.82 ESR2 (0.39) ESR2LMNAPDE5AMAOAMAOB
SCHEMBL2831517 0.82 ESR2 (0.39) ESR2LMNAPDE5AMAOAMAOB
SCHEMBL10167046 0.81 OPRK1 (0.35) GPR119PDE4BKDM1AMAOAMAOB
SCHEMBL10167514 0.81 KCNH2 (0.42) MAOB
SCHEMBL310675 0.80 KCNH2 (0.55) MAOB

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 8 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
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-20080293753-A1 Novel Compounds Convergence Pharmaceuticals Limited (GB) 2008-11-27 US disclosed
WO-2007042240-A1 QUATERNARY ALPHA-AMINOCARBOXAMIDE DERIVATIVES AS MODULATORS OF VOLTAGE-GATED SODIUM CHANNELS GLAXO GROUP LIMITED (GB) 2007-04-19 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-20100324022-A1 NOVEL COMPOUNDS CYP46A1, NPC1, CYP11B1 GPR119 51/4885DDB1 4047/4885CRBN 3810/4885
US-20080293753-A1 Novel Compounds CACNA1E, CACNA1A, SCN1B GPR119 445/4885DDB1 4362/4885CRBN 2212/4885

“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.