SCHEMBL6053036

SCHEMBL6053036

NC(=O)C1[C@@H](O)CCN1C(=O)[C@H](O)[CH]Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.48
DPP4 P27487 3/20 0.39
SIRT1 Q96EB6 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DPP8 Q6V1X1 2/20 0.35
DPP9 Q86TI2 2/20 0.35
DPP7 Q9UHL4 2/20 0.35
FAP Q12884 1/20 0.35
GAA P10253 2/20 0.34
PDCD1 Q15116 2/20 0.34
CD274 Q9NZQ7 2/20 0.34
TDP1 Q9NUW8 1/20 0.33
F2 P00734 1/20 0.33
F10 P00742 1/20 0.33
PRSS1 P07477 1/20 0.33
ACE P12821 1/20 0.33

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
SCHEMBL7531133 0.93 TACR1 (0.44) TACR1DPP4DPP8DPP9DPP7
SCHEMBL6053005 0.88 TACR1 (0.40) TACR1DPP4SIRT1SMN1; SMN2DPP8
SCHEMBL6494918 0.88 TACR1 (0.40) TACR1DPP4SIRT1SMN1; SMN2DPP8
SCHEMBL6052769 0.83 TACR1 (0.38) TACR1DPP4SIRT1GAAACE
SCHEMBL7835398 0.83 TACR1 (0.38) TACR1DPP4SIRT1GAAACE
SCHEMBL7528040 0.83 TACR1 (0.38) TACR1DPP4SIRT1GAAACE
SCHEMBL3141190 0.83 TACR1 (0.38) TACR1DPP4SIRT1GAAACE
SCHEMBL2675548 0.83 TACR1 (0.38) TACR1DPP4SIRT1GAAACE
SCHEMBL6838967 0.81 DPP4 (0.40) TACR1DPP4SIRT1CYP2C19SMN1; SMN2
SCHEMBL4086816 0.80 TACR1 (0.44) TACR1DPP4CYP2C19SMN1; SMN2DPP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050171049-A1 Compounds for the treatment of ischemia DENINNO MICHAEL P (US) 2005-08-04 US claimed
EP-1056729-B1 N-[(SUBSTITUTED FIVE-MEMBERED DI- OR TRIAZA DIUNSATURATED RING)CARBONYL]GUANIDINE DERIVATIVES FOR THE TREATMENT OF ISCHEMIA PFIZER PROD INC (US) 2004-12-29 EP claimed
US-20040198693-A1 Compounds for the treatment of ischemia DENINNO MICHAEL P (US) 2004-10-07 US claimed
EP-1032424-B9 COMBINATION OF AN ALDOSE REDUCTASE INHIBITOR AND A GLYCOGEN PHOSPHORYLASE INHIBITOR PFIZER PROD INC (US) 2004-10-06 EP claimed
EP-1454902-A1 N- (substituted five-membered di-or triaza diunsaturated ring)carbonyl guanidine derivateives for the treatment of ischemia Pfizer Products Inc. (US) 2004-09-08 EP claimed
US-20040006088-A1 For therapy of diabetes, hyperglycemia, hypercholesterolemia, hypertension, hyperinsulinemias, hyperlipidemia, atherosclerosis and myocardial ischemia in mammals PFIZER INC. 2004-01-08 US claimed
JP-2003526654-A 2003-09-09 JP claimed
US-20030149043-A1 N-[(substituted five-membered di-or triaza diunsaturated ring)carbonyl] guanidine derivatives for the treatment of ischemia PFIZER INC. 2003-08-07 US claimed
US-6555569-B2 Especially for treatment of Chlamydia pneumoniae PFIZER INC. 2003-04-29 US claimed
US-20030055021-A1 Compounds for the treatment of ischemia PFIZER, INC. 2003-03-20 US claimed
EP-1032424-B1 COMBINATION OF AN ALDOSE REDUCTASE INHIBITOR AND A GLYCOGEN PHOSPHORYLASE INHIBITOR PFIZER PROD INC (US) 2001-09-12 EP claimed
EP-0832066-B1 SUBSTITUTED N-(INDOLE-2-CARBONYL-) AMIDES AND DERIVATIVES AS GLYCOGEN PHOSPHORYLASE INHIBITORS PFIZER (US) 2001-09-12 EP claimed
EP-1061074-A1 Novel process and intermediates Pfizer Products Inc. (US) 2000-12-20 EP claimed
EP-1056729-A1 N-[(SUBSTITUTED FIVE-MEMBERED DI- OR TRIAZA DIUNSATURATED RING)CARBONYL]GUANIDINE DERIVATIVES FOR THE TREATMENT OF ISCHEMIA Pfizer Products Inc. (US) 2000-12-06 EP claimed
EP-1032424-A1 COMBINATION OF AN ALDOSE REDUCTASE INHIBITOR AND A GLYCOGEN PHOSPHORYLASE INHIBITOR Pfizer Products Inc. (US) 2000-09-06 EP claimed
WO-1999043663-A1 N-[(SUBSTITUTED FIVE-MEMBERED DI- OR TRIAZA DIUNSATURATED RING)CARBONYL] GUANIDINE DERIVATIVES FOR THE TREATMENT OF ISCHEMIA PFIZER PRODUCTS INC. (US) 1999-09-02 WO claimed
WO-1999026659-A1 COMBINATION OF AN ALDOSE REDUCTASE INHIBITOR AND A GLYCOGEN PHOSPHORYLASE INHIBITOR PFIZER PRODUCTS INC. (US) 1999-06-03 WO claimed
EP-0846464-A2 Use of glycogen phosphorylase inhibitor for reducing non-cardiac tissue damage resulting from ischemia PFIZER INC. (US) 1998-06-10 EP claimed
EP-0832066-A1 SUBSTITUTED N-(INDOLE-2-CARBONYL-) AMIDES AND DERIVATIVES AS GLYCOGEN PHOSPHORYLASE INHIBITORS PFIZER INC. (US) 1998-04-01 EP claimed
WO-1996039385-A1 SUBSTITUTED N-(INDOLE-2-CARBONYL-) AMIDES AND DERIVATIVES AS GLYCOGEN PHOSPHORYLASE INHIBITORS PFIZER INC. (US) 1996-12-12 WO claimed

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-20050171049-A1 Compounds for the treatment of ischemia TNNI3, ADRB3, TBXA2R TACR1 256/4885DPP4 1474/4885SIRT1 1113/4885
US-20030055021-A1 Compounds for the treatment of ischemia TNNI3, ADRB3, FABP3 TACR1 189/4885DPP4 1600/4885SIRT1 732/4885
US-20040006088-A1 For therapy of diabetes, hyperglycemia, hypercholesterolemia, hypertension, hyperinsulinemias, hyperlipidemia, atherosclerosis and myocardial ischemia in mammals PYGL, GPR119, PYGM TACR1 1523/4885DPP4 206/4885SIRT1 667/4885
US-20030149043-A1 N-[(substituted five-membered di-or triaza diunsaturated ring)carbonyl] guanidine derivatives for the treatment of ischemia NHERF1, SLC28A1, TNNI3 TACR1 1045/4885DPP4 1574/4885SIRT1 458/4885
US-20040198693-A1 Compounds for the treatment of ischemia TNNI3, ADRB3, FABP3 TACR1 190/4885DPP4 1024/4885SIRT1 856/4885

“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.