SCHEMBL3920129

SCHEMBL3920129

CC(C)(C)OC(=O)[C@H]1CN(c2cc(C(=O)O)ncn2)C[C@H]1N1CCCCC1=O

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 11/20 0.44
▸ DPP8 Q6V1X1 2/20 0.43
▸ KMO O15229 3/20 0.40
▸ GPR119 Q8TDV5 2/20 0.34
▸ VNN1 O95497 1/20 0.32
▸ ITGAL P20701 1/20 0.30

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 0.84 DPP4 (0.43) DPP4DPP8KMOGPR119VNN1
SCHEMBL3922240 0.70 DPP4 (0.34) DPP4DPP8
SCHEMBL8221580 0.70 DPP4 (0.43) DPP4DPP8GPR119VNN1ITGAL
SCHEMBL3930048 0.70 DPP4 (0.32) DPP4DPP8
SCHEMBL13472397 0.68 KMO (0.56) KMOGPR119
SCHEMBL13474216 0.68 KMO (0.73) KMO
SCHEMBL13472393 0.67 MAP4K4 (0.52) KMOITGAL
SCHEMBL13940552 0.67 MAP4K4 (0.52) KMOITGAL
SCHEMBL3929559 0.66 DPP4 (0.66) DPP4DPP8GPR119ITGAL
SCHEMBL12168416 0.66 KMO (0.71) KMO

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-7485641-B2 Substituted 3-amino-pyrrolidino-4-lactams PFIZER, INC. (US) 2009-02-03 — — 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 1978/4885KMO 1958/4885

“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.

Send feedback