SCHEMBL256029

SCHEMBL256029

C#Cc1ccc(C(=O)N2CCCC2)c(C)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.53
HPGD P15428 8/20 0.51
HTT P42858 1/20 0.50
FASN P49327 1/20 0.47
TSHR P16473 1/20 0.46
L3MBTL3 Q96JM7 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KMT2A Q03164 3/20 0.44
GAA P10253 1/20 0.44
PLA2G7 Q13093 1/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
USP2 O75604 1/20 0.41
CNR2 P34972 1/20 0.41
POLB P06746 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
SCHEMBL6556808 0.85 ACACB (0.53) ACACBHPGDHTTFASNTSHR
SCHEMBL5885873 0.83 ACACB (0.57) ACACBHPGDHTTTSHRL3MBTL3
SCHEMBL5885709 0.80 ACACB (0.60) ACACBHPGDHTTTSHRL3MBTL3
SCHEMBL11998367 0.80 ACACB (0.55) ACACBHPGDHTTTSHRL3MBTL3
SCHEMBL5885715 0.79 ACACB (0.59) ACACBHPGDHTTTSHRL3MBTL3
SCHEMBL6563753 0.79 ACACB (0.56) ACACBHPGDHTTTSHRL3MBTL3
SCHEMBL4160200 0.79 HPGD (0.58) HPGDHTTTSHRL3MBTL3L3MBTL1
SCHEMBL24016907 0.78 KMT2A (0.60) HPGDHTTTSHRL3MBTL3L3MBTL1
SCHEMBL5885712 0.77 ACACB (0.54) ACACBHPGDHTTTSHRL3MBTL3
SCHEMBL256310 0.76 HPGD (0.59) HPGDHTTTSHRL3MBTL3L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611771-B1 SUBSTITUTED HETEROARYL- AND ARYLALKYNYL BENZENE DERIVATIVES AS ACC-INHIBITORS FOR THE TREATMENT OF METABOLIC DISEASES BOEHRINGER INGELHEIM INT (DE) 2016-11-23 EP disclosed
US-8835472-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-16 US disclosed
US-8835472-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-16 US disclosed
US-20120214785-A1 New compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 US disclosed
US-20120214785-A1 New compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 US disclosed
WO-2012028676-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-08 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 (1 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-20120214785-A1 New compounds, pharmaceutical compositions and uses thereof ABCG2, PGA5, PDE6G ACACB 2257/4885HPGD 177/4885HTT 2935/4885

“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.