Sugi Predict

Sugi Predict / Compounds / SCHEMBL3839829

SCHEMBL3839829

SCHEMBL3839829

CC(C)(C)OC(=O)N1C[C@@H](N2CCNCC2)C[C@H]1C(=O)N1CCC(F)(F)C1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 9/20 0.35
▸ DPP7 Q9UHL4 6/20 0.35
▸ DPP8 Q6V1X1 5/20 0.35
▸ FAP Q12884 2/20 0.35
▸ DPP9 Q86TI2 1/20 0.35
▸ HSD17B10 Q99714 2/20 0.34
▸ NR1H2 P55055 1/20 0.32
▸ CCR2 P41597 1/20 0.32
▸ ACACB O00763 1/20 0.31
▸ EPHX2 P34913 1/20 0.31
▸ MC4R P32245 1/20 0.31
▸ MC5R P33032 1/20 0.31
▸ TGM2 P21980 1/20 0.31

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
SCHEMBL3844700 0.81 DPP4 (0.57) DPP4DPP7DPP8FAPDPP9
SCHEMBL2710551 0.79 PREP (0.47) DPP4DPP8DPP9HSD17B10
SCHEMBL3843422 0.79 PARP1 (0.42) DPP4DPP7
SCHEMBL3843484 0.78 LMNA (0.39) DPP4DPP7DPP8FAPDPP9
SCHEMBL4920145 0.78 HSD17B10 (0.36) DPP4HSD17B10ACACBEPHX2TGM2
SCHEMBL13436646 0.78 TGM2 (0.39) DPP4DPP7HSD17B10NR1H2ACACB
SCHEMBL8426364 0.78 TGM2 (0.39) DPP4DPP7HSD17B10NR1H2ACACB
SCHEMBL8426363 0.78 HSD17B10 (0.36) DPP4HSD17B10ACACBEPHX2TGM2
SCHEMBL8237255 0.78 HSD17B10 (0.36) DPP4DPP7FAPHSD17B10NR1H2
SCHEMBL4909265 0.78 TGM2 (0.39) DPP4DPP7HSD17B10NR1H2ACACB

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 26/4885DPP7 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.