SCHEMBL6345448

SCHEMBL6345448

CC(C)OC(=O)[C@](N)(O)CCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
KMT2A Q03164 3/20 0.41
GRM2 Q14416 1/20 0.40
GRM3 Q14832 1/20 0.40
KIF11 P52732 1/20 0.39
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HPGD P15428 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
MAPK8 P45983 1/20 0.38
MAPK9 P45984 1/20 0.38

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
SCHEMBL27463604 1.00 TSHR (0.49) TSHRKMT2AGRM2GRM3KIF11
SCHEMBL6341497 0.83 SRC (0.45) KMT2AGRM2GRM3MEN1ALDH1A1
SCHEMBL6344201 0.83 SRC (0.45) KMT2AGRM2GRM3MEN1ALDH1A1
SCHEMBL8219953 0.77 GRM2 (0.53) GRM2GRM3KIF11ALDH1A1HDAC1
SCHEMBL11088109 0.77 GRM2 (0.53) GRM2GRM3KIF11ALDH1A1HDAC1
SCHEMBL7441576 0.77 GRM2 (0.53) GRM2GRM3KIF11ALDH1A1HDAC1
SCHEMBL28307236 0.75 GRM2 (0.47) GRM2GRM3KIF11ALDH1A1HDAC1
SCHEMBL16463192 0.72 EPHX2 (0.44) GRM2GRM3
SCHEMBL4007827 0.72 TSHR (0.51) TSHRKMT2AKIF11MEN1ALDH1A1
SCHEMBL7842357 0.72 DRD2 (0.40) KMT2AGRM2GRM3ALDH1A1NPC1

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 11 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
CN-1098838-C Substituted N- (indole-2-carbonyl) -beta-alaninamides and derivatives as antidiabetics PFIZER (US) 2003-01-15 CN disclosed
CN-1374082-A Use of glycogen sulphofoenzyme inhibitor PFIZER (US) 2002-10-16 CN 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
CN-1140709-A Substituted N- (indole-2-carbonyl) -beta-alaninamides and derivatives as antidiabetics PFIZER (US) 1997-01-22 CN 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 TSHR 1879/4885KMT2A 2221/4885GRM2 1432/4885
US-20040006088-A1 For therapy of diabetes, hyperglycemia, hypercholesterolemia, hypertension, hyperinsulinemias, hyperlipidemia, atherosclerosis and myocardial ischemia in mammals PYGL, GPR119, PYGM TSHR 1519/4885KMT2A 2171/4885GRM2 1156/4885

“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.