SCHEMBL13004992

SCHEMBL13004992

CC(C)(C)OC(=O)N1CCC2(CC1)Cc1cccnc1C2

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
GPR119 Q8TDV5 6/20 0.46
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
MAPK1 P28482 1/20 0.44
DTYMK P23919 1/20 0.43
CYP11B2 P19099 1/20 0.43
CYP3A4 P08684 3/20 0.43
NAMPT P43490 3/20 0.43
CYP2D6 P10635 2/20 0.43
HSD17B10 Q99714 2/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
SCD5 Q86SK9 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42

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
SCHEMBL22521307 0.86 GPR119 (0.47) POLBGPR119OPRD1OPRK1CYP11B2
SCHEMBL29609790 0.85 MAPK1 (0.51) GPR119OPRD1OPRK1MAPK1CYP11B2
SCHEMBL23902054 0.85 MAPK1 (0.51) GPR119OPRD1OPRK1MAPK1CYP11B2
SCHEMBL22770359 0.82 POLB (0.47) POLBGPR119OPRD1OPRK1MAPK1
SCHEMBL29930648 0.81 SPR (0.42) MAPK1CYP3A4CYP2D6HSD17B10TSHR
SCHEMBL13005000 0.80 CYP11B2 (0.43) POLBGPR119OPRD1OPRK1CYP11B2
SCHEMBL21856202 0.79 POLB (0.48) POLBGPR119OPRD1OPRK1MAPK1
SCHEMBL30207681 0.79 POLB (0.55) POLBGPR119MAPK1DTYMKMAPT
SCHEMBL23024346 0.78 NAMPT (0.48) POLBGPR119OPRD1OPRK1NAMPT
SCHEMBL31317561 0.78 NAMPT (0.59) GPR119CYP11B2NAMPT

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-4227307-A1 PYRAZOLOPYRAZINE COMPOUNDS AS SHP2 INHIBITORS Genzyme Corporation (US) 2023-08-16 EP disclosed
WO-2023114954-A1 PYRAZOLOPYRAZINE COMPOUNDS AS SHP2 INHIBITORS GENZYME CORPORATION (US) 2023-06-22 WO disclosed
EP-4129987-A1 CRYSTAL FORM OF FREE ALKALI OF NITROGEN-CONTAINING AROMATIC DERIVATIVES Shanghai Hansoh Biomedical Co., Ltd. (CN) 2023-02-08 EP disclosed
WO-2023282702-A1 SHP2 INHIBITOR AND USE THEREOF 주식회사 카나프테라퓨틱스 2023-01-12 WO disclosed
WO-2022063190-A1 PYRAZINE THIOBIPHENYL COMPOUND AND APPLICATION THEREOF 南京明德新药研发有限公司 2022-03-31 WO disclosed
WO-2021197452-A1 CRYSTAL FORM OF FREE ALKALI OF NITROGEN-CONTAINING AROMATIC DERIVATIVES 上海翰森生物医药科技有限公司 2021-10-07 WO disclosed
US-20100317679-A1 SUBSTITUTED ARYL-FUSED SPIROCYCLIC AMINES LIGAND PHARMACEUTICALS, INC. (US) 2010-12-16 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 (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-20100317679-A1 SUBSTITUTED ARYL-FUSED SPIROCYCLIC AMINES HRH3, HRH4, HRH2 POLB 4334/4885GPR119 200/4885OPRD1 261/4885

“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.