Sugi Predict

Sugi Predict / Compounds / SCHEMBL3843422

SCHEMBL3843422

SCHEMBL3843422

CC(C)(C)OC(=O)N1C[C@@H](N2CCN(C(=O)OCc3ccccc3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.42
▸ KDM1A O60341 2/20 0.42
▸ PDK1 Q15118 1/20 0.40
▸ PDK2 Q15119 1/20 0.40
▸ PDK3 Q15120 1/20 0.40
▸ PDK4 Q16654 1/20 0.40
▸ DPP4 P27487 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ DPP7 Q9UHL4 1/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ CYP2C19 P33261 1/20 0.37
▸ TACR1 P25103 1/20 0.37

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
SCHEMBL2708839 0.83 PARP1 (0.43) PARP1PDK1PDK2PDK3PDK4
SCHEMBL29874577 0.83 HTT (0.48) PARP1PDK1PDK2PDK3PDK4
SCHEMBL30801095 0.83 HTT (0.48) PARP1PDK1PDK2PDK3PDK4
SCHEMBL2711105 0.80 DPP4 (0.43) PARP1PDK1PDK2PDK3PDK4
SCHEMBL2711103 0.80 DPP4 (0.43) PARP1PDK1PDK2PDK3PDK4
SCHEMBL3844700 0.80 DPP4 (0.57) DPP4KCNH2DPP7
SCHEMBL23249881 0.79 PARP1 (0.49) PARP1PDK1PDK2PDK3PDK4
SCHEMBL32684605 0.79 PARP1 (0.49) PARP1PDK1PDK2PDK3PDK4
SCHEMBL22123338 0.79 POLB (0.50) PARP1PDK1PDK2PDK3PDK4
SCHEMBL22123085 0.79 POLB (0.50) PARP1PDK1PDK2PDK3PDK4

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 8 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
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 PARP1 1009/4885KDM1A 3017/4885PDK1 2137/4885
US-20070099897-A1 Therapeutic compounds SLC5A2, SLC5A1, REN PARP1 4071/4885KDM1A 3519/4885PDK1 2608/4885
US-20070161664-A1 THERAPEUTIC COMPOUNDS SLC5A2, SLC5A1, REN PARP1 4071/4885KDM1A 3519/4885PDK1 2608/4885
US-20060079498-A1 Therapeutic compounds SLC5A2, SLC5A1, REN PARP1 4071/4885KDM1A 3519/4885PDK1 2608/4885

“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.