SCHEMBL3844700

SCHEMBL3844700

CC(C)(C)OC(=O)N1C[C@@H](N2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 16/20 0.57
DPP8 Q6V1X1 11/20 0.57
DPP7 Q9UHL4 11/20 0.57
FAP Q12884 1/20 0.57
DPP9 Q86TI2 1/20 0.57
GPR119 Q8TDV5 1/20 0.45
FAAH O00519 1/20 0.43
MGLL Q99685 1/20 0.43
MAPT P10636 1/20 0.41
KCNH2 Q12809 1/20 0.40
CYP3A4 P08684 1/20 0.38

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
SCHEMBL2855452 0.82 GPR119 (0.46) DPP4DPP8DPP7DPP9GPR119
SCHEMBL3839541 0.82 GPR119 (0.51) DPP4DPP8DPP7GPR119FAAH
SCHEMBL3839829 0.81 DPP4 (0.35) DPP4DPP8DPP7FAPDPP9
SCHEMBL3843422 0.80 PARP1 (0.42) DPP4DPP7KCNH2
SCHEMBL3843484 0.79 LMNA (0.39) DPP4DPP8DPP7FAPDPP9
SCHEMBL5179553 0.76 GPR119 (0.44) DPP4DPP8DPP7GPR119FAAH
SCHEMBL3840753 0.75 DPP4 (0.61) DPP4DPP8DPP7FAPDPP9
SCHEMBL5179560 0.75 GPR119 (0.44) DPP4DPP8DPP7GPR119FAAH
Gosogliptin SCHEMBL23715004 0.73 DPP4 (1.00) DPP4DPP8DPP7FAPDPP9
Gosogliptin SCHEMBL197108 0.73 DPP4 (1.00) DPP4DPP8DPP7FAPDPP9

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
EP-2116541-B1 Proline derivatives and their use as dipeptidyl peptidase IV inhibitors PFIZER PROD INC (US) 2015-02-25 EP disclosed
EP-2116541-A1 Proline derivatives and their use as dipeptidyl peptidase IV inhibitors Pfizer Products Incorporated (US) 2009-11-11 EP disclosed
EP-1753748-B1 PROLINE DERIVATIVES AND THEIR USE AS DIPEPTIDYL PEPTIDASE IV INHIBITORS PFIZER PROD INC (US) 2009-07-29 EP disclosed
US-7465732-B2 (2S,4S)-4-(piperazin-1-yl)pyrrolidine-2-methanone derivatives PFIZER INC (US) 2008-12-16 US disclosed
US-7291618-B2 Therapeutic compounds PFIZER INC (US) 2007-11-06 US disclosed
US-20070161664-A1 THERAPEUTIC COMPOUNDS PFIZER INC 2007-07-12 US disclosed
US-20070099897-A1 Therapeutic compounds PFIZER INC 2007-05-03 US disclosed
US-20060079498-A1 Therapeutic compounds PFIZER INC 2006-04-13 US disclosed
US-20050256310-A1 Therapeutic compounds PFIZER INC 2005-11-17 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 (4 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-20050256310-A1 Therapeutic compounds REN, SLC5A1, SLC5A2 DPP4 26/4885DPP8 413/4885DPP7 274/4885
US-20070099897-A1 Therapeutic compounds SLC5A2, SLC5A1, REN DPP4 31/4885DPP8 404/4885DPP7 114/4885
US-20070161664-A1 THERAPEUTIC COMPOUNDS SLC5A2, SLC5A1, REN DPP4 31/4885DPP8 404/4885DPP7 114/4885
US-20060079498-A1 Therapeutic compounds SLC5A2, SLC5A1, REN DPP4 31/4885DPP8 404/4885DPP7 114/4885

“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.