SCHEMBL2899250

SCHEMBL2899250

CC(C)(C)OC(=O)N1CC(C#N)(c2ncccc2F)C1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.43
GRM1 Q13255 2/20 0.43
POLB P06746 1/20 0.43
DTYMK P23919 1/20 0.40
GPR119 Q8TDV5 8/20 0.40
SQOR Q9Y6N5 1/20 0.39
JAK2 O60674 3/20 0.38
JAK1 P23458 3/20 0.38
CTSL P07711 1/20 0.37
CTSS P25774 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
SCHEMBL2950039 0.89 POLB (0.47) GRM5GRM1POLBDTYMKGPR119
SCHEMBL10125419 0.86 POLB (0.43) GRM5GRM1POLBDTYMKGPR119
SCHEMBL10125364 0.84 GPR119 (0.42) GRM5POLBDTYMKGPR119JAK2
SCHEMBL15033814 0.82 GRM5 (0.40) GRM5POLBDTYMKGPR119JAK2
SCHEMBL5252770 0.82 ALDH1A1 (0.35) GRM1
SCHEMBL3886709 0.80 GPR119 (0.46) GRM5GRM1POLBDTYMKGPR119
SCHEMBL2904485 0.80 POLB (0.46) GRM5GRM1POLBDTYMKGPR119
SCHEMBL10125429 0.79 POLB (0.41) GRM5POLBDTYMKGPR119SQOR
SCHEMBL28742403 0.78 GPR119 (0.37) GRM5GRM1GPR119JAK2JAK1
SCHEMBL26923185 0.77 GPR119 (0.43) GRM5GRM1POLBGPR119

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 GRM5 390/4885GRM1 62/4885POLB 4337/4885

“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.