SCHEMBL1107916

SCHEMBL1107916

C#Cc1ccccc1Oc1ccc([C@H]2CC[C@@](C)(C(N)=O)N2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 4/20 0.43
KCNH2 Q12809 1/20 0.39
MAPK1 P28482 1/20 0.34
OPRK1 P41145 1/20 0.34
HSD17B10 Q99714 1/20 0.33
BTK Q06187 4/20 0.33
STS P08842 1/20 0.32
SCN9A Q15858 2/20 0.32
GPR119 Q8TDV5 1/20 0.31
RORC P51449 1/20 0.31
KDM1A O60341 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31

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
SCHEMBL483566 0.91 KCNH2 (0.49) EZH2KCNH2OPRK1BTKGPR119
SCHEMBL10167046 0.87 OPRK1 (0.35) EZH2KCNH2MAPK1OPRK1BTK
SCHEMBL28285321 0.81 GPR119 (0.43) GPR119RORCKDM1A
SCHEMBL12994209 0.79 KCNH2 (0.41) EZH2KCNH2OPRK1SCN9AGPR119
SCHEMBL2837158 0.79 KCNH2 (0.53) EZH2KCNH2BTK
SCHEMBL310810 0.78 GPR119 (0.37) GPR119RORCKDM1AMAOAMAOB
SCHEMBL1104538 0.78 GPR119 (0.37) GPR119RORCKDM1AMAOAMAOB
SCHEMBL483783 0.78 KCNH2 (0.51) KCNH2SCN9AGPR119MAOB
SCHEMBL311656 0.78 YAP1 (0.46) KCNH2MAOB
SCHEMBL484710 0.78 YAP1 (0.46) KCNH2MAOB

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 4 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-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

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 EZH2 3740/4885KCNH2 3260/4885MAPK1 2171/4885
US-20080293753-A1 Novel Compounds CACNA1E, CACNA1A, SCN1B EZH2 3892/4885KCNH2 15/4885MAPK1 2974/4885

“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.