SCHEMBL6350305

SCHEMBL6350305

NC(=O)C1SCCN1C(=O)[C@H](O)[CH]Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.37
TACR1 P25103 1/20 0.36
SIRT1 Q96EB6 2/20 0.35
DPP4 P27487 4/20 0.34
RIPK1 Q13546 1/20 0.34
DPP8 Q6V1X1 2/20 0.33
DPP9 Q86TI2 2/20 0.33
DPP7 Q9UHL4 2/20 0.33
FAP Q12884 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CFD P00746 1/20 0.33
FAAH O00519 1/20 0.32
KCNA5 P22460 1/20 0.32
GAA P10253 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
SIRT2 Q8IXJ6 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
SCHEMBL6350208 0.81 CNR2 (0.37) ACETACR1SIRT1DPP4
SCHEMBL6163040 0.80 RIPK1 (0.36) ACETACR1SIRT1DPP4RIPK1
SCHEMBL3137083 0.77 ERAP2 (0.48) ACEDPP4DPP8DPP9DPP7
SCHEMBL6339526 0.77 ERAP2 (0.48) ACEDPP4DPP8DPP9DPP7
SCHEMBL6053036 0.76 TACR1 (0.48) ACETACR1SIRT1DPP4DPP8
SCHEMBL6339531 0.76 LTA4H (0.46) ACEDPP4
SCHEMBL6494918 0.76 TACR1 (0.40) ACETACR1SIRT1DPP4DPP8
SCHEMBL6053005 0.76 TACR1 (0.40) ACETACR1SIRT1DPP4DPP8
SCHEMBL7531133 0.74 TACR1 (0.44) ACETACR1DPP4DPP8DPP9
SCHEMBL6838967 0.74 DPP4 (0.40) ACETACR1SIRT1DPP4CYP2C19

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
US-6846820-B2 For therapy of diabetes, hyperglycemia, hypercholesterolemia, hypertension, hyperinsulinemias, hyperlipidemia, atherosclerosis and myocardial ischemia in mammals PFIZER INC. (US) 2005-01-25 US disclosed
US-20040006088-A1 For therapy of diabetes, hyperglycemia, hypercholesterolemia, hypertension, hyperinsulinemias, hyperlipidemia, atherosclerosis and myocardial ischemia in mammals PFIZER INC. 2004-01-08 US disclosed
US-6649634-B2 Use in treating diabetes, hyperglycemia, hypercholesterolemia, hypertension, hyperinsulinemias, hyperlipidemia, atherosclerosis and myocardial ischemia in mammals PFIZER, INC. 2003-11-18 US disclosed
US-20020028810-A1 Use in treating diabetes, hyperglycemia, hypercholesterolemia, hypertension, hyperinsulinemias, hyperlipidemia, atherosclerosis and myocardial ischemia in mammals HOOVER DENNIS J (US) 2002-03-07 US disclosed
US-6297269-B1 Substituted n-(indole-2-carbonyl-) amides and derivatives as glycogen phosphorylase inhibitors PFIZER INC. 2001-10-02 US disclosed
EP-0832066-B1 SUBSTITUTED N-(INDOLE-2-CARBONYL-) AMIDES AND DERIVATIVES AS GLYCOGEN PHOSPHORYLASE INHIBITORS PFIZER (US) 2001-09-12 EP disclosed
EP-0832066-A1 SUBSTITUTED N-(INDOLE-2-CARBONYL-) AMIDES AND DERIVATIVES AS GLYCOGEN PHOSPHORYLASE INHIBITORS PFIZER INC. (US) 1998-04-01 EP disclosed
WO-1996039385-A1 SUBSTITUTED N-(INDOLE-2-CARBONYL-) AMIDES AND DERIVATIVES AS GLYCOGEN PHOSPHORYLASE INHIBITORS PFIZER INC. (US) 1996-12-12 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 (2 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-20020028810-A1 Use in treating diabetes, hyperglycemia, hypercholesterolemia, hypertension, hyperinsulinemias, hyperlipidemia, atherosclerosis and myocardial ischemia in mammals PYGL, GPR119, PYGM ACE 1166/4885TACR1 1639/4885SIRT1 802/4885
US-20040006088-A1 For therapy of diabetes, hyperglycemia, hypercholesterolemia, hypertension, hyperinsulinemias, hyperlipidemia, atherosclerosis and myocardial ischemia in mammals PYGL, GPR119, PYGM ACE 1125/4885TACR1 1523/4885SIRT1 667/4885

“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.