SCHEMBL896265

SCHEMBL896265

O=C(CNN1CCCC1)N1CCCC1.OBO

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.43
DPP4 P27487 3/20 0.42
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.37
RAB9A P51151 2/20 0.36
GAA P10253 1/20 0.36
PPID Q08752 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL4077561 0.94 ATM (0.48) ATMDPP4ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL10487028 0.73 ATM (0.54) ATMDPP4ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL3804291 0.70 ATM (0.50) ATMDPP4ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL341470 0.70 SMN1; SMN2 (0.39) DPP4ALDH1A1SMN1; SMN2L3MBTL1RAB9A
SCHEMBL13558721 0.70 ATM (0.50) ATMDPP4ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL1226363 0.70 ATM (0.50) ATMDPP4ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL16373575 0.68 DPP4 (0.49) ATMDPP4ALDH1A1SMN1; SMN2L3MBTL1
Hydrochloric Acid SCHEMBL19512431 0.68 ATM (0.48) ATMDPP4ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL2907861 0.68 ATM (0.48) ATMDPP4ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL3942505 0.68 L3MBTL1 (0.36) ALDH1A1SMN1; SMN2L3MBTL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101522201-B The solid citrate of DPP-IV inhibitor and tartrate HANGZHOU HUADONG MEDICINE GROUP PHARMACEUTICAL RESEARCH INSTITUTE Co.,Ltd. (CN) 2015-08-19 CN disclosed
CN-101522201-B The solid citrate of DPP-IV inhibitor and tartrate HANGZHOU HUADONG MEDICINE GROUP PHARMACEUTICAL RESEARCH INSTITUTE Co.,Ltd. (CN) 2015-08-19 CN disclosed
US-8748457-B2 2-amino-2- [8-(dimethyl carbamoyl)- 8-aza- bicyclo [3.2.1] oct-3-yl]-exo- ethanoyl derivatives as potent DPP-IV inhibitors LUPIN LIMITED (IN) 2014-06-10 US disclosed
US-8338450-B2 Compounds as dipeptidyl peptidase IV (DPP IV) inhibitors LUPIN LIMITED (IN) 2012-12-25 US disclosed
US-8299271-B2 Solid tartrate salts of DPP-IV inhibitors PHENOMIX CORPORATION (US) 2012-10-30 US disclosed
US-8299271-B2 Solid tartrate salts of DPP-IV inhibitors PHENOMIX CORPORATION (US) 2012-10-30 US disclosed
US-20120082635-A1 2-AMINO-2- [8-(DIMETHYL CARBAMOYL)- 8-AZA- BICYCLO [3.2.1] OCT-3-YL]-EXO- ETHANOYL DERIVATIVES AS POTENT DPP-IV INHIBITORS LUPIN LIMITED (IN) 2012-04-05 US disclosed
US-7906658-B2 Antidiabetic agents PHENOMIX CORPORATION (US) 2011-03-15 US disclosed
US-7884217-B2 Antidiabetic agents PHENOMIX CORPORATION (US) 2011-02-08 US disclosed
US-7884217-B2 Antidiabetic agents PHENOMIX CORPORATION (US) 2011-02-08 US disclosed
WO-2008027273-A2 SOLID CITRATE AND TARTRATE SALTS OF DPP-IV INHIBITORS PHENOMIX CORPORATION (US) 2008-03-06 WO disclosed
WO-2008027273-A2 SOLID CITRATE AND TARTRATE SALTS OF DPP-IV INHIBITORS PHENOMIX CORPORATION (US) 2008-03-06 WO disclosed
US-7317109-B2 Pyrrolidine compounds and methods for selective inhibition of dipeptidyl peptidase-IV PHENOMIX CORPORATION (US) 2008-01-08 US disclosed
US-7317109-B2 Pyrrolidine compounds and methods for selective inhibition of dipeptidyl peptidase-IV PHENOMIX CORPORATION (US) 2008-01-08 US disclosed
US-20070299036-A1 PYRROLIDINE COMPOUNDS AND METHODS FOR SELECTIVE INHIBITION OF DIPEPTIDYL PEPTIDASE-IV PHENOMIX CORPORATION 2007-12-27 US disclosed
US-20060264401-A1 METHYL AND ETHYL SUBSTITUTED PYRROLIDINE COMPOUNDS AND METHODS FOR SELECTIVE INHIBITION OF DIPEPTIDYL PEPTIDASE-IV PHENOMIX CORPORATION 2006-11-23 US disclosed
US-20060264400-A1 PYRROLIDINE COMPOUNDS AND METHODS FOR SELECTIVE INHIBITION OF DIPEPTIDYL PEPTIDASE-IV SINO-MED INTERNATIONAL ALLIANCE, INC. 2006-11-23 US disclosed
US-20060264400-A1 PYRROLIDINE COMPOUNDS AND METHODS FOR SELECTIVE INHIBITION OF DIPEPTIDYL PEPTIDASE-IV SINO-MED INTERNATIONAL ALLIANCE, INC. 2006-11-23 US disclosed
US-20060258621-A1 PYRROLIDINE COMPOUNDS AND METHODS FOR SELECTIVE INHIBITION OF DIPEPTIDYL PEPTIDASE-IV SINO-MED INTERNATIONAL ALLIANCE, INC. 2006-11-16 US disclosed
US-20060258621-A1 PYRROLIDINE COMPOUNDS AND METHODS FOR SELECTIVE INHIBITION OF DIPEPTIDYL PEPTIDASE-IV SINO-MED INTERNATIONAL ALLIANCE, INC. 2006-11-16 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 (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-20060264400-A1 PYRROLIDINE COMPOUNDS AND METHODS FOR SELECTIVE INHIBITION OF DIPEPTIDYL PEPTIDASE-IV DPP4, DPP7, DPP3 ATM 4812/4885DPP4 1/4885ALDH1A1 983/4885
US-20060258621-A1 PYRROLIDINE COMPOUNDS AND METHODS FOR SELECTIVE INHIBITION OF DIPEPTIDYL PEPTIDASE-IV DPP4, DPP7, DPP3 ATM 4789/4885DPP4 1/4885ALDH1A1 1030/4885
US-20120082635-A1 2-AMINO-2- [8-(DIMETHYL CARBAMOYL)- 8-AZA- BICYCLO [3.2.1] OCT-3-YL]-EXO- ETHANOYL DERIVATIVES AS POTENT DPP-IV INHIBITORS DPP7, DPP4, DPP8 ATM 4805/4885DPP4 2/4885ALDH1A1 1648/4885
US-20060264401-A1 METHYL AND ETHYL SUBSTITUTED PYRROLIDINE COMPOUNDS AND METHODS FOR SELECTIVE INHIBITION OF DIPEPTIDYL PEPTIDASE-IV DPP4, DPP3, DPP7 ATM 4684/4885DPP4 1/4885ALDH1A1 1520/4885
US-20070299036-A1 PYRROLIDINE COMPOUNDS AND METHODS FOR SELECTIVE INHIBITION OF DIPEPTIDYL PEPTIDASE-IV DPP4, DPP7, DPP3 ATM 4885/4885DPP4 1/4885ALDH1A1 812/4885

“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.