SCHEMBL8221580

SCHEMBL8221580

CC(C)(C)OC(=O)N[C@H]1CN(c2cc(Cl)ncn2)C[C@@H]1N1CCCC1=O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 9/20 0.43
▸ DPP8 Q6V1X1 1/20 0.39
▸ JAK3 P52333 1/20 0.38
▸ BTK Q06187 1/20 0.38
▸ MAP4K4 O95819 2/20 0.37
▸ EIF2AK4 Q9P2K8 1/20 0.36
▸ GPR119 Q8TDV5 1/20 0.36
▸ SUV39H2 Q9H5I1 1/20 0.35
▸ ITGB2 P05107 1/20 0.35
▸ ICAM1 P05362 1/20 0.35
▸ ITGAL P20701 1/20 0.35
▸ NFKB1 P19838 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34
▸ VNN1 O95497 1/20 0.34
▸ RET P07949 2/20 0.33

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
SCHEMBL8217907 0.86 DPP4 (0.43) DPP4DPP8JAK3BTKMAP4K4
SCHEMBL3917849 0.86 DPP4 (0.48) DPP4DPP8JAK3BTKVNN1
SCHEMBL3917855 0.86 DPP4 (0.48) DPP4DPP8JAK3BTKVNN1
SCHEMBL3929559 0.80 DPP4 (0.66) DPP4DPP8JAK3BTKMAP4K4
SCHEMBL3929564 0.80 DPP4 (0.66) DPP4DPP8JAK3BTKMAP4K4
SCHEMBL18636766 0.78 JAK3 (0.48) JAK3BTKMAP4K4EIF2AK4SUV39H2
SCHEMBL179044 0.78 RET (0.38) DPP4DPP8JAK3BTKMAP4K4
SCHEMBL147265 0.77 DPP4 (0.35) DPP4DPP8JAK3BTKMAP4K4
SCHEMBL147266 0.77 DPP4 (0.35) DPP4DPP8JAK3BTKMAP4K4
SCHEMBL1721356 0.77 DPP4 (0.35) DPP4DPP8JAK3BTKMAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7485641-B2 Substituted 3-amino-pyrrolidino-4-lactams PFIZER, INC. (US) 2009-02-03 — — US disclosed
US-7485641-B2 Substituted 3-amino-pyrrolidino-4-lactams PFIZER, INC. (US) 2009-02-03 — — US disclosed
WO-2007148185-A2 SUBSTITUTED 3 -AMINO- PYRROLIDINO-4 -LACTAMS AS DPP INHIBITORS PFIZER PRODUCTS INC. (US) 2007-12-27 — — WO disclosed
US-20070299076-A1 Substituted 3-Amino-Pyrrolidino-4-Lactams PFIZER INC 2007-12-27 — — US disclosed
US-20070299076-A1 Substituted 3-Amino-Pyrrolidino-4-Lactams PFIZER INC 2007-12-27 — — 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-20070299076-A1 Substituted 3-Amino-Pyrrolidino-4-Lactams PRMT1, PRMT7, PRMT3 DPP4 783/4885DPP8 1978/4885JAK3 838/4885

“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.

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