SCHEMBL2167761

SCHEMBL2167761

CC(=O)NC(C)COc1ccc(Oc2ccc(OC(C)C)cn2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACACB O00763 17/20 1.00
ACACA Q13085 10/20 0.74
MTNR1A P48039 3/20 0.56
MTNR1B P49286 3/20 0.56

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
SCHEMBL1547851 1.00 ACACB (1.00) ACACBACACAMTNR1AMTNR1B
SCHEMBL1547288 1.00 ACACB (1.00) ACACBACACAMTNR1AMTNR1B
SCHEMBL1547656 0.95 ACACB (1.00) ACACBACACAMTNR1AMTNR1B
SCHEMBL1547635 0.91 ACACB (0.91) ACACBACACA
SCHEMBL1547380 0.90 ACACB (0.82) ACACBACACAMTNR1AMTNR1B
SCHEMBL1547657 0.88 ACACB (0.79) ACACBACACA
Trifluoroacetic Acid SCHEMBL1547775 0.88 ACACB (0.77) ACACBACACAMTNR1AMTNR1B
SCHEMBL2166309 0.86 ACACB (0.80) ACACBACACAMTNR1AMTNR1B
SCHEMBL1547655 0.86 ACACB (0.76) ACACBACACA
SCHEMBL18090590 0.86 ACACB (1.00) ACACBACACAMTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3670496-A2 ACC2 INHIBITORS Shionogi&Co., Ltd. (JP) 2020-06-24 EP disclosed
US-20190144396-A1 9-MEMBERED FUSED RING DERIVATIVE SHIONOGI & CO., LTD. (JP) 2019-05-16 US disclosed
US-10233156-B2 9-membered fused ring derivative SHIONOGI & CO., LTD. (JP) 2019-03-19 US disclosed
US-20180079727-A1 9-MEMBERED FUSED RING DERIVATIVE SHIONOGI & CO., LTD. (JP) 2018-03-22 US disclosed
US-20180079727-A1 9-MEMBERED FUSED RING DERIVATIVE SHIONOGI & CO., LTD. (JP) 2018-03-22 US disclosed
US-20160257641-A1 NOVEL ALKYLENE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2016-09-08 US disclosed
US-20160257641-A1 NOVEL ALKYLENE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2016-09-08 US disclosed
EP-3059225-A1 NOVEL ALKYLENE DERIVATIVE Shionogi & Co., Ltd. (JP) 2016-08-24 EP disclosed
US-8470841-B2 Heterocyclic compounds, processes for their preparation, medicaments comprising these compounds, and the use thereof SANOFI (FR) 2013-06-25 US disclosed
US-8470841-B2 Heterocyclic compounds, processes for their preparation, medicaments comprising these compounds, and the use thereof SANOFI (FR) 2013-06-25 US disclosed
US-8470841-B2 Heterocyclic compounds, processes for their preparation, medicaments comprising these compounds, and the use thereof SANOFI (FR) 2013-06-25 US disclosed
US-20110183998-A1 HETEROCYCLIC COMPOUNDS, PROCESSES FOR THEIR PREPARATION, MEDICAMENTS COMPRISING THESE COMPOUNDS, AND THE USE THEREOF SANOFI-AVENTIS (FR) 2011-07-28 US disclosed
US-20110183998-A1 HETEROCYCLIC COMPOUNDS, PROCESSES FOR THEIR PREPARATION, MEDICAMENTS COMPRISING THESE COMPOUNDS, AND THE USE THEREOF SANOFI-AVENTIS (FR) 2011-07-28 US disclosed
US-20110183998-A1 HETEROCYCLIC COMPOUNDS, PROCESSES FOR THEIR PREPARATION, MEDICAMENTS COMPRISING THESE COMPOUNDS, AND THE USE THEREOF SANOFI-AVENTIS (FR) 2011-07-28 US disclosed
WO-2010003624-A2 HETEROCYCLIC COMPOUNDS, PROCESSES FOR THEIR PREPARATION, MEDICAMENTS COMPRISING THESE COMPOUNDS, AND THE USE THEREOF SANOFI-AVENTIS (FR) 2010-01-14 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 (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-20180079727-A1 9-MEMBERED FUSED RING DERIVATIVE ACSS2, AGTR2, ACSL3 ACACB 7/4885ACACA 12/4885MTNR1A 3285/4885
US-20110183998-A1 HETEROCYCLIC COMPOUNDS, PROCESSES FOR THEIR PREPARATION, MEDICAMENTS COMPRISING THESE COMPOUNDS, AND THE USE THEREOF CS, CYP11B1, GPR119 ACACB 1290/4885ACACA 1283/4885MTNR1A 560/4885
US-20190144396-A1 9-MEMBERED FUSED RING DERIVATIVE ACSS2, AGTR2, ACSL3 ACACB 7/4885ACACA 12/4885MTNR1A 3285/4885
US-10233156-B2 9-membered fused ring derivative AGTR2, ACSS2, ACSL3 ACACB 5/4885ACACA 10/4885MTNR1A 3215/4885
US-20160257641-A1 NOVEL ALKYLENE DERIVATIVES ACSS2, ACACB, ADCY2 ACACB 2/4885ACACA 18/4885MTNR1A 2443/4885

“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.