SCHEMBL3886709

SCHEMBL3886709

CC(C)(C)OC(=O)N1CC(C#N)(c2ccccn2)C1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.46
GRM5 P41594 2/20 0.46
JAK2 O60674 6/20 0.45
JAK1 P23458 6/20 0.45
POLB P06746 1/20 0.43
HSD11B1 P28845 1/20 0.41
DTYMK P23919 1/20 0.40
GRM1 Q13255 1/20 0.39
MAPK1 P28482 1/20 0.39
RORC P51449 2/20 0.39
VNN1 O95497 1/20 0.39
ADRA1A P35348 1/20 0.39

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
SCHEMBL5874046 0.91 JAK2 (0.47) GPR119GRM5JAK2JAK1POLB
SCHEMBL30936178 0.89 GPR119 (0.44) GPR119GRM5JAK2JAK1POLB
SCHEMBL30017613 0.88 JAK2 (0.50) GPR119GRM5JAK2JAK1POLB
SCHEMBL760836 0.88 JAK2 (0.50) GPR119GRM5JAK2JAK1POLB
SCHEMBL25299744 0.82 GPR119 (0.50) GPR119GRM5JAK2JAK1POLB
SCHEMBL25262300 0.81 GPR119 (0.49) GPR119GRM5JAK2JAK1POLB
SCHEMBL31327729 0.81 CTSL (0.45) GPR119POLB
SCHEMBL31417084 0.81 JAK2 (0.45) GPR119JAK2JAK1POLB
SCHEMBL18340927 0.81 CTSL (0.41) GPR119JAK2JAK1RORC
SCHEMBL3894380 0.80 PRKCA (0.43) HSD11B1VNN1ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572792-B2 Azetidine glycine transporter inhibitors MERCK & CO., INC. (US) 2009-08-11 US disclosed
US-7572792-B2 Azetidine glycine transporter inhibitors MERCK & CO., INC. (US) 2009-08-11 US disclosed
US-7572792-B2 Azetidine glycine transporter inhibitors MERCK & CO., INC. (US) 2009-08-11 US disclosed
US-20080021010-A1 Azetidine Glycine Transporter Inhibitors MERCK SHARP & DOHME LIMITED (GB) 2008-01-24 US disclosed
US-20080021010-A1 Azetidine Glycine Transporter Inhibitors MERCK SHARP & DOHME LIMITED (GB) 2008-01-24 US disclosed
US-20080021010-A1 Azetidine Glycine Transporter Inhibitors MERCK SHARP & DOHME LIMITED (GB) 2008-01-24 US disclosed
EP-1745018-A1 AZETIDINE GLYCINE TRANSPORTER INHIBITORS Merck & Co., Inc. (US) 2007-01-24 EP disclosed
WO-2005110983-A1 AZETIDINE GLYCINE TRANSPORTER INHIBITORS MERCK & CO., INC. (US) 2005-11-24 WO disclosed
WO-2005110983-A1 AZETIDINE GLYCINE TRANSPORTER INHIBITORS MERCK & CO., INC. (US) 2005-11-24 WO 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-20080021010-A1 Azetidine Glycine Transporter Inhibitors SLC1A2, SLC18A2, SLC1A1 GPR119 278/4885GRM5 75/4885JAK2 3039/4885

“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.