SCHEMBL3845265

SCHEMBL3845265

O=C([C@@H]1C[C@H](N2CCN(c3nc4cnccc4o3)CC2)CN1)N1CCC(F)(F)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 1.00
DPP7 Q9UHL4 12/20 1.00
DPP8 Q6V1X1 11/20 1.00
FAP Q12884 2/20 0.63
DPP9 Q86TI2 1/20 0.63
KCNH2 Q12809 1/20 0.46

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
SCHEMBL3844879 0.93 DPP4 (1.00) DPP4DPP7DPP8FAPDPP9
SCHEMBL3845455 0.90 DPP4 (1.00) DPP4DPP7DPP8FAPDPP9
SCHEMBL3846610 0.88 DPP4 (0.90) DPP4DPP7DPP8FAPDPP9
SCHEMBL3843328 0.87 DPP4 (0.80) DPP4DPP7DPP8FAPDPP9
SCHEMBL3840625 0.86 DPP4 (0.79) DPP4DPP7DPP8FAPDPP9
SCHEMBL3842215 0.85 DPP4 (0.79) DPP4DPP7DPP8FAPDPP9
SCHEMBL3840617 0.84 DPP4 (1.00) DPP4DPP7DPP8FAPDPP9
SCHEMBL3844343 0.80 DPP4 (0.78) DPP4DPP7DPP8FAPDPP9
SCHEMBL3844341 0.80 DPP4 (0.78) DPP4DPP7DPP8FAPDPP9
SCHEMBL3848298 0.80 DPP4 (0.77) DPP4DPP7DPP8FAPDPP9

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 20 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 claimed
EP-2116541-A1 Proline derivatives and their use as dipeptidyl peptidase IV inhibitors Pfizer Products Incorporated (US) 2009-11-11 EP claimed
JP-4227660-B2 2009-02-18 JP claimed
US-7465732-B2 (2S,4S)-4-(piperazin-1-yl)pyrrolidine-2-methanone derivatives PFIZER INC (US) 2008-12-16 US claimed
JP-2007537231-A 2007-12-20 JP claimed
US-20070099897-A1 Therapeutic compounds PFIZER INC 2007-05-03 US claimed
EP-1753748-A1 PROLINE DERIVATIVES AND THEIR USE AS DIPEPTIDYL PEPTIDASE IV INHIBITORS Pfizer Products Inc. (US) 2007-02-21 EP claimed
US-20060079498-A1 Therapeutic compounds PFIZER INC 2006-04-13 US claimed
WO-2005116014-A1 PROLINE DERIVATIVES AND THEIR USE AS DIPEPTIDYL PEPTIDASE IV INHIBITORS PFIZER PRODUCTS INC. (US) 2005-12-08 WO claimed
US-20050256310-A1 Therapeutic compounds PFIZER INC 2005-11-17 US claimed
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
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
EP-1753748-A1 PROLINE DERIVATIVES AND THEIR USE AS DIPEPTIDYL PEPTIDASE IV INHIBITORS Pfizer Products Inc. (US) 2007-02-21 EP disclosed
US-20060079498-A1 Therapeutic compounds PFIZER INC 2006-04-13 US disclosed
WO-2005116014-A1 PROLINE DERIVATIVES AND THEIR USE AS DIPEPTIDYL PEPTIDASE IV INHIBITORS PFIZER PRODUCTS INC. (US) 2005-12-08 WO 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 26/4885DPP7 274/4885DPP8 413/4885
US-20070099897-A1 Therapeutic compounds SLC5A2, SLC5A1, REN DPP4 31/4885DPP7 114/4885DPP8 404/4885
US-20070161664-A1 THERAPEUTIC COMPOUNDS SLC5A2, SLC5A1, REN DPP4 31/4885DPP7 114/4885DPP8 404/4885
US-20060079498-A1 Therapeutic compounds SLC5A2, SLC5A1, REN DPP4 31/4885DPP7 114/4885DPP8 404/4885

“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.