SCHEMBL2904485

SCHEMBL2904485

CC(C)(C)OC(=O)N1CC(CN)(c2ncccc2F)C1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
GRM5 P41594 3/20 0.43
GRM1 Q13255 2/20 0.43
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
DTYMK P23919 1/20 0.40
GPR119 Q8TDV5 3/20 0.40
ALOX5AP P20292 2/20 0.39
FEN1 P39748 2/20 0.39
CYP3A4 P08684 1/20 0.38
CYP3A5 P20815 1/20 0.38
KDM1A O60341 2/20 0.38
DPP4 P27487 1/20 0.38
JAK3 P52333 1/20 0.37
KDM1B Q8NB78 1/20 0.37
PARP1 P09874 1/20 0.37

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
SCHEMBL2899666 0.89 POLB (0.47) POLBGRM5GRM1OPRD1OPRK1
SCHEMBL5250415 0.82 KCNH2 (0.39) GRM1
SCHEMBL2899250 0.80 GRM5 (0.43) POLBGRM5GRM1DTYMKGPR119
SCHEMBL26920310 0.77 GPR119 (0.43) POLBGRM5GRM1GPR119ALOX5AP
SCHEMBL3662831 0.77 POLB (0.48) POLBOPRD1OPRK1DTYMKGPR119
SCHEMBL2896521 0.77 SLC6A9 (0.63)
SCHEMBL3787005 0.77 POLB (0.50) POLBGRM5GRM1OPRD1OPRK1
SCHEMBL3792634 0.77 TRPV1 (0.54) POLBGRM5GRM1OPRD1OPRK1
SCHEMBL5503570 0.76 GPR119 (0.45) POLBGRM5GRM1OPRD1OPRK1
SCHEMBL31327792 0.76 JAK2 (0.43) POLBOPRD1OPRK1GPR119ALOX5AP

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
EP-1831201-B1 PIPERIDINE AND AZETIDINE DERIVATIVES AS GLYT1 INHIBITORS MERCK SHARP & DOHME (GB) 2010-08-04 EP disclosed
US-7655644-B2 Piperidine and azetidine derivatives as GlyT1 inhibitors MERCK SHARP & DOHME LIMITED (GB) 2010-02-02 US disclosed
US-20080090796-A1 Piperidine And Azetidine Derivatives As Glyt1 Inhibitors MERCK SHARP & DOHME (UK) LIMITED (GB) 2008-04-17 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-20080090796-A1 Piperidine And Azetidine Derivatives As Glyt1 Inhibitors SLC6A7, SLC1A1, SLC1A2 POLB 4337/4885GRM5 390/4885GRM1 62/4885

“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.