SCHEMBL3886498

SCHEMBL3886498

CC(N)C1(c2ccccn2)CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.46
GRM5 P41594 2/20 0.43
JAK2 O60674 5/20 0.42
JAK1 P23458 5/20 0.42
POLB P06746 1/20 0.42
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
GRM1 Q13255 1/20 0.39
MAPK1 P28482 1/20 0.39
RORC P51449 2/20 0.38
VNN1 O95497 1/20 0.38
USP30 Q70CQ3 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.37
ATM Q13315 1/20 0.37
CKS1B P61024 1/20 0.37
SKP1 P63208 1/20 0.37
SKP2 Q13309 1/20 0.37
DTYMK P23919 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
SCHEMBL3885199 1.00 GPR119 (0.46) GPR119GRM5JAK2JAK1POLB
SCHEMBL25262300 0.83 GPR119 (0.49) GPR119GRM5JAK2JAK1POLB
SCHEMBL3885176 0.82 HSD11B1 (0.39) POLBOPRD1OPRK1VNN1TSHR
SCHEMBL25299744 0.81 GPR119 (0.50) GPR119GRM5JAK2JAK1POLB
SCHEMBL5503570 0.78 GPR119 (0.45) GPR119GRM5JAK2JAK1POLB
SCHEMBL3886709 0.77 GPR119 (0.46) GPR119GRM5JAK2JAK1POLB
SCHEMBL6888743 0.76 GPR119 (0.53) GPR119GRM5JAK2JAK1POLB
SCHEMBL3894370 0.76 SLC6A9 (0.58)
SCHEMBL25308595 0.75 GPR119 (0.43) GPR119GRM5JAK2JAK1POLB
SCHEMBL5874286 0.75 GPR119 (0.49) GPR119GRM5JAK2JAK1POLB

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 2 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-20080021010-A1 Azetidine Glycine Transporter Inhibitors MERCK SHARP & DOHME LIMITED (GB) 2008-01-24 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-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.