SCHEMBL18280035

SCHEMBL18280035

CC(C)(C)OC(=O)N1CCC(=Cc2ccc3nonc3c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.43
ESR2 Q92731 1/20 0.40
CLK2 P49760 1/20 0.40
CLK3 P49761 1/20 0.40
GSK3B P49841 1/20 0.40
DYRK1A Q13627 1/20 0.40
DYRK2 Q92630 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
NR1H2 P55055 1/20 0.40
GRIA3 P42263 1/20 0.38
GRIA4 P48058 1/20 0.38
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SCD5 Q86SK9 1/20 0.37
OGA O60502 1/20 0.37
MAP4K4 O95819 1/20 0.37
GPR119 Q8TDV5 6/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC4 P56524 1/20 0.36

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
SCHEMBL14785860 0.80 GPR119 (0.45) GPR119
SCHEMBL14785862 0.80 GPR119 (0.45) GPR119
SCHEMBL513237 0.79 DYRK2 (0.60) GRM5CLK2CLK3GSK3BDYRK1A
SCHEMBL4959967 0.79 ESR2 (0.46) GRM5ESR2NR1H2SMN1; SMN2GPR119
SCHEMBL18280097 0.79 GRM5 (0.46) GRM5ESR2NR1H2GPR119HDAC1
SCHEMBL16112509 0.78 SCD5 (0.52) SCD5OGA
SCHEMBL3642719 0.78 GRM5 (0.47) GRM5ESR2NR1H2GPR119ABCB1
SCHEMBL1009267 0.77 ESR2 (0.53) GRM5ESR2NR1H2OGAGPR119
SCHEMBL14720896 0.77 GRM5 (0.46) GRM5ESR2NR1H2USP2SMN1; SMN2
SCHEMBL1870570 0.77 NR1H2 (0.54) GRM5ESR2NR1H2USP2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9902712-B2 Nitrogenous heterocyclic derivatives and their application in drugs SUNSHINE LAKE PHARMA CO., LTD. (CN) 2018-02-27 US disclosed
EP-3083584-B1 NITROGENOUS HETEROCYCLIC DERIVATIVES AND THEIR APPLICATION IN THE TREATMENT OF TISSUE FIBROSIS SUNSHINE LAKE PHARMA CO LTD (CN) 2018-02-21 EP disclosed
US-20160355501-A1 NITROGENOUS HETEROCYCLIC DERIVATIVES AND THEIR APPLICATION IN DRUGS SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-12-08 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-20160355501-A1 NITROGENOUS HETEROCYCLIC DERIVATIVES AND THEIR APPLICATION IN DRUGS TNNC1, IAPP, TNNI3 GRM5 4734/4885ESR2 758/4885CLK2 4616/4885

“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.