SCHEMBL2622434

SCHEMBL2622434

CC(=O)NCC(C)c1ccc2nc(Oc3cccc(OC(C)C)c3)sc2c1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACACB O00763 10/20 0.43
ACACA Q13085 7/20 0.43
MTNR1A P48039 4/20 0.42
MTNR1B P49286 4/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
EPHX2 P34913 2/20 0.37
MAOB P27338 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
SCHEMBL4525186 0.92 NPC1 (0.50) ACACBACACAMTNR1AMTNR1BNPC1
SCHEMBL4519215 0.92 ACACB (0.47) ACACBACACAMTNR1AMTNR1BNPC1
SCHEMBL4516183 0.91 ACACB (0.46) ACACBACACANPC1RAB9A
SCHEMBL4519186 0.88 NPC1 (0.52) ACACBACACAMTNR1AMTNR1BNPC1
SCHEMBL4520509 0.87 NPC1 (0.44) ACACBMTNR1AMTNR1BNPC1RAB9A
SCHEMBL4518430 0.87 NPC1 (0.43) MTNR1AMTNR1BNPC1RAB9AEPHX2
SCHEMBL4514304 0.85 NPC1 (0.47) MTNR1AMTNR1BNPC1RAB9AMAOB
SCHEMBL4790440 0.84 ACACB (0.41) ACACBNPC1RAB9AEPHX2
SCHEMBL4521157 0.84 ALDH1A1 (0.42) ACACBNPC1RAB9AEPHX2
SCHEMBL4521582 0.83 NPC1 (0.45) MTNR1AMTNR1BNPC1RAB9AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1996567-B1 NOVEL ACETYL-COA CARBOXYLASE (ACC) INHIBITORS AND THEIR USE IN DIABETES, OBESITY AND METABOLIC SYNDROME ABBVIE INC (US) 2013-09-18 EP claimed
US-8207350-B2 Acetyl-CoA carboxylase (ACC) inhibitors and their use in diabetes, obesity and metabolic syndrome ABBOTT LABORATORIES (US) 2012-06-26 US claimed
US-20090048298-A1 Novel acetyl-CoA Carboxylase (ACC) Inhibitors and their use in Diabetes, Obesity and Metabolic Syndrome ABBOTT LABORATORIES (US) 2009-02-19 US claimed
EP-1996567-A2 NOVEL ACETYL-COA CARBOXYLASE (ACC) INHIBITORS AND THEIR USE IN DIABETES, OBESITY AND METABOLIC SYNDROME ABBOTT LABORATORIES (US) 2008-12-03 EP claimed
US-20070219258-A1 NOVEL ACETYL-COA CARBOXYLASE (ACC) INHIBITORS AND THEIR USE IN DIABETES, OBESITY AND METABOLIC SYNDROME ABBOTT LABORATORIES 2007-09-20 US claimed
WO-2007095601-A2 NOVEL ACETYL-COA CARBOXYLASE (ACC) INHIBITORS AND THEIR USE IN DIABETES, OBESITY AND METABOLIC SYNDROME ABBOTT LABORATORIES (US) 2007-08-23 WO claimed
US-9757407-B2 Treatment of viral infections by modulation of host cell metabolic pathways THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2017-09-12 US disclosed
US-9757407-B2 Treatment of viral infections by modulation of host cell metabolic pathways THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2017-09-12 US disclosed
US-20160346309-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS UNIV PRINCETON (US) 2016-12-01 US disclosed
US-20160346309-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS UNIV PRINCETON (US) 2016-12-01 US disclosed
US-9029413-B2 Treatment of viral infections by modulation of host cell metabolic pathways THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2015-05-12 US disclosed
US-9029413-B2 Treatment of viral infections by modulation of host cell metabolic pathways THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2015-05-12 US disclosed
EP-1996567-B1 NOVEL ACETYL-COA CARBOXYLASE (ACC) INHIBITORS AND THEIR USE IN DIABETES, OBESITY AND METABOLIC SYNDROME ABBVIE INC (US) 2013-09-18 EP disclosed
US-8158677-B2 Treatment of viral infections by modulation of host cell metabolic pathways THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2012-04-17 US disclosed
US-20090239830-A1 Treatment of viral infections by modulation of host cell metabolic pathways KADMON CORPORATION, LLC 2009-09-24 US disclosed
US-20090239830-A1 Treatment of viral infections by modulation of host cell metabolic pathways KADMON CORPORATION, LLC 2009-09-24 US disclosed
US-20090048298-A1 Novel acetyl-CoA Carboxylase (ACC) Inhibitors and their use in Diabetes, Obesity and Metabolic Syndrome ABBOTT LABORATORIES (US) 2009-02-19 US disclosed
EP-1996567-A2 NOVEL ACETYL-COA CARBOXYLASE (ACC) INHIBITORS AND THEIR USE IN DIABETES, OBESITY AND METABOLIC SYNDROME ABBOTT LABORATORIES (US) 2008-12-03 EP disclosed
US-20070219258-A1 NOVEL ACETYL-COA CARBOXYLASE (ACC) INHIBITORS AND THEIR USE IN DIABETES, OBESITY AND METABOLIC SYNDROME ABBOTT LABORATORIES 2007-09-20 US disclosed
WO-2007095601-A2 NOVEL ACETYL-COA CARBOXYLASE (ACC) INHIBITORS AND THEIR USE IN DIABETES, OBESITY AND METABOLIC SYNDROME ABBOTT LABORATORIES (US) 2007-08-23 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 (4 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-20090239830-A1 Treatment of viral infections by modulation of host cell metabolic pathways GOT2, MAVS, ME3 ACACB 312/4885ACACA 702/4885MTNR1A 2524/4885
US-20160346309-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS GOT2, MAVS, ME3 ACACB 312/4885ACACA 702/4885MTNR1A 2524/4885
US-20070219258-A1 NOVEL ACETYL-COA CARBOXYLASE (ACC) INHIBITORS AND THEIR USE IN DIABETES, OBESITY AND METABOLIC SYNDROME ACACA, ACACB, ACAT1 ACACB 2/4885ACACA 1/4885MTNR1A 3007/4885
US-20090048298-A1 Novel acetyl-CoA Carboxylase (ACC) Inhibitors and their use in Diabetes, Obesity and Metabolic Syndrome ACACA, ACACB, ACAT1 ACACB 2/4885ACACA 1/4885MTNR1A 3007/4885

“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.