Sugi Predict

Sugi Predict / Compounds / SCHEMBL756230

SCHEMBL756230

SCHEMBL756230

NC(=O)[C@@H]1C[C@H](F)CN1C(=O)CCl

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PIN1 Q13526 1/20 0.40
▸ CNR2 P34972 4/20 0.38
▸ MAOA P21397 3/20 0.35
▸ MAOB P27338 3/20 0.35
▸ PEPD P12955 1/20 0.35
▸ XPNPEP1 Q9NQW7 1/20 0.35
▸ DPP4 P27487 6/20 0.33
▸ DPP8 Q6V1X1 3/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ PIK3CG P48736 1/20 0.33
▸ DPP9 Q86TI2 1/20 0.33
▸ DPP7 Q9UHL4 1/20 0.33
▸ CFD P00746 2/20 0.32

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
SCHEMBL5502343 1.00 PIN1 (0.40) PIN1CNR2MAOAMAOBPEPD
SCHEMBL3725157 1.00 PIN1 (0.40) PIN1CNR2MAOAMAOBPEPD
SCHEMBL1334680 0.84 DPP4 (0.34) PEPDXPNPEP1DPP4DPP8DPP9
SCHEMBL1336107 0.84 DPP4 (0.34) PEPDXPNPEP1DPP4DPP8DPP9
SCHEMBL1334552 0.84 DPP4 (0.34) PEPDXPNPEP1DPP4DPP8DPP9
SCHEMBL1334677 0.84 DPP4 (0.34) PEPDXPNPEP1DPP4DPP8DPP9
SCHEMBL1334675 0.84 DPP4 (0.34) PEPDXPNPEP1DPP4DPP8DPP9
SCHEMBL1493709 0.84 PIN1 (0.40) PIN1CNR2MAOAMAOBPEPD
SCHEMBL12757999 0.84 PIN1 (0.40) PIN1CNR2MAOAMAOBPEPD
SCHEMBL10110426 0.83 PIN1 (0.42) PIN1CNR2PEPDXPNPEP1DPP4

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8203003-B2 4-fluoropyrrolidine-2-carbonyl fluoride compounds and their preparative methods UBE INDUSTRIES, LTD. (JP) 2012-06-19 — — US disclosed
US-8203003-B2 4-fluoropyrrolidine-2-carbonyl fluoride compounds and their preparative methods UBE INDUSTRIES, LTD. (JP) 2012-06-19 — — US disclosed
US-8143427-B2 Method for producing aminoacetylpyrrolidinecarbonitrile derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2012-03-27 — — US disclosed
EP-2123636-B1 METHOD FOR PRODUCING AMINOACETYLPYRROLIDINECARBONITRILE DERIVATIVE KYORIN SEIYAKU KK (JP) 2012-03-21 — — EP disclosed
US-8063045-B2 Fluoropyrrolidines having dipeptidyl peptidase enzyme inhibitory activity SANOFI-AVENTIS (FR) 2011-11-22 — — US disclosed
US-20110275833-A1 Novel 4-Fluoropyrrolidine-2-Carbonyl Fluoride Compounds and Their Preparative Methods UBE INDUSTRIES, LTD. (JP) 2011-11-10 — — US disclosed
US-20110275833-A1 Novel 4-Fluoropyrrolidine-2-Carbonyl Fluoride Compounds and Their Preparative Methods UBE INDUSTRIES, LTD. (JP) 2011-11-10 — — US disclosed
US-7985759-B2 Dipeptidyl peptidase IV inhibitors and processes for their preparation and pharmaceutical compositions containing them MATRIX LABORATORIES LTD. (IN) 2011-07-26 — — US disclosed
US-20100210838-A1 FLUOROPYRROLIDINES HAVING DIPEPTIDYL PEPTIDASE ENZYME INHIBITORY ACTIVITY SANOFI-AVENTIS (FR) 2010-08-19 — — US disclosed
WO-2010081014-A1 NOVEL 4-FLUOROPYRROLIDINE-2-CARBONYL FLUORIDE COMPOUNDS AND THEIR PREPARATIVE METHODS IM&T RESEARCH, INC. (US) 2010-07-15 — — WO disclosed
CN-101448785-A Novel dipeptidyl peptidase IV inhibitors and processes for their preparation and pharmaceutical compositions containing them MATRIX LAB LTD (IN) 2009-06-03 — — CN disclosed
US-20080161310-A1 FLUOROPYRROLIDINES HAVING DIPEPTIDYL PEPTIDASE ENZYME INHIBITORY ACTIVITY SANOFI-AVENTIS (FR) 2008-07-03 — — US disclosed
US-7348327-B2 Compounds SANOFI-AVENTIS (FR) 2008-03-25 — — US disclosed
US-7186731-B2 2-cyanopyrrolidinecarboxamide compound ASTELLAS PHARMA INC. (JP) 2007-03-06 — — US disclosed
EP-1737863-A2 2-CYANOPYRROLIDINECARBOXAMIDES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS Astellas Pharma Inc. (JP) 2007-01-03 — — EP disclosed
US-20050137224-A1 2-Cyanopyrrolidinecarboxamide compound FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-06-23 — — US disclosed
US-20050130981-A1 Compounds SANOFI-AVENTIS (FR) 2005-06-16 — — US disclosed
WO-2005042533-A2 2-CYANOPYRROLIDINECARBOXAMIDES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS ASTELLAS PHARMA INC. (JP) 2005-05-12 — — WO disclosed
EP-1487807-A2 NEW COMPOUNDS Sanofi-Aventis (FR) 2004-12-22 — — EP disclosed
WO-2003074500-A2 N-AMINOACETYL-PYRROLIDINE-2-CARBONITRILES AND THEIR USE AS DDP-IV INHIBITORS SANOFI-AVENTIS (FR) 2003-09-12 — — WO 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 (5 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-20110275833-A1 Novel 4-Fluoropyrrolidine-2-Carbonyl Fluoride Compounds and Their Preparative Methods PFAS, AFF4, PAICS PIN1 2338/4885CNR2 1626/4885MAOA 634/4885
US-20080161310-A1 FLUOROPYRROLIDINES HAVING DIPEPTIDYL PEPTIDASE ENZYME INHIBITORY ACTIVITY DPP4, DPP3, DPP7 PIN1 637/4885CNR2 4756/4885MAOA 989/4885
US-20050130981-A1 Compounds DPP4, DPP3, DPP7 PIN1 1046/4885CNR2 4329/4885MAOA 496/4885
US-20050137224-A1 2-Cyanopyrrolidinecarboxamide compound DPP4, DPP3, DPP7 PIN1 3479/4885CNR2 227/4885MAOA 3083/4885
US-20100210838-A1 FLUOROPYRROLIDINES HAVING DIPEPTIDYL PEPTIDASE ENZYME INHIBITORY ACTIVITY DPP4, DPP3, DPP7 PIN1 637/4885CNR2 4756/4885MAOA 989/4885

“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.