SCHEMBL6345408

SCHEMBL6345408

COC(=O)CCC(N)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
SLC1A1 P43005 1/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 3/20 0.46
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TSHR P16473 2/20 0.43
HSD17B10 Q99714 2/20 0.43
AKT1 P31749 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPK1 P28482 1/20 0.43
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
KCNA5 P22460 1/20 0.41

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
SCHEMBL21161250 1.00 CA12 (0.48) CA12CA7CA9CA14SLC1A1
Hydrochloric Acid SCHEMBL27412896 0.98 CA12 (0.47) CA12CA7CA9CA14SLC1A1
SCHEMBL16728552 0.90 CA12 (0.46) CA12CA7CA9CA14KMT2A
SCHEMBL28970084 0.84 MTNR1A (0.53) CA12CA7CA9CA14KMT2A
SCHEMBL8174744 0.83 SMN1; SMN2 (0.51) KMT2AALDH1A1CYP3A4CYP2D6
SCHEMBL8174741 0.83 SMN1; SMN2 (0.51) KMT2AALDH1A1CYP3A4CYP2D6
SCHEMBL17555372 0.83 MAPT (0.42) SLC1A1KMT2AALDH1A1LMNAHSD17B10
SCHEMBL30079653 0.83 MAPT (0.42) SLC1A1KMT2AALDH1A1LMNAHSD17B10
SCHEMBL31163352 0.83 SMN1; SMN2 (0.51) KMT2AALDH1A1CYP3A4CYP2D6
SCHEMBL16479635 0.83 AOC3 (0.41) SLC1A1KMT2AALDH1A1LMNAHSD17B10

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102471294-A Chiral cyclic beta-amino aryl butyric acid derivative, preparation method thereof and method for preparing chiral beta-amino aryl butyric acid derivative by using same UNITRIS BIOPHARMA CO LTD 2012-05-23 CN disclosed
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 CA12 1491/4885CA7 592/4885CA9 596/4885
US-20040006088-A1 For therapy of diabetes, hyperglycemia, hypercholesterolemia, hypertension, hyperinsulinemias, hyperlipidemia, atherosclerosis and myocardial ischemia in mammals PYGL, GPR119, PYGM CA12 1532/4885CA7 655/4885CA9 509/4885

“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.