SCHEMBL255667

SCHEMBL255667

CC(=O)NCC(C)(C)c1ccc(Br)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACACB O00763 6/20 0.52
CYP1A2 P05177 1/20 0.42
OGG1 O15527 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.39
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
UBE2N P61088 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 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
SCHEMBL16041339 0.86 OGG1 (0.40) ACACBOGG1MEN1NPC1RAB9A
SCHEMBL14335899 0.84 CYP1A2 (0.41) ACACBCYP1A2OGG1ALDH1A1MEN1
SCHEMBL255675 0.84 ACACB (0.54) ACACBMTNR1AMTNR1B
SCHEMBL8350859 0.84 ACACB (0.54) ACACBALDH1A1NPC1RAB9AMAPT
SCHEMBL21350587 0.83 KMT2A (0.43) ACACBCYP1A2OGG1ALDH1A1MEN1
SCHEMBL8499984 0.81 ACACB (0.51) ACACBMTNR1AMTNR1B
SCHEMBL10575510 0.81 NR1H4 (0.52) ACACBALDH1A1MEN1RAB9AKMT2A
SCHEMBL256227 0.78 ACACB (0.59) ACACB
SCHEMBL10574838 0.75 ACACB (0.46) ACACBALDH1A1MEN1KMT2AMAPT
SCHEMBL16078342 0.74 SMN1; SMN2 (0.49) ALDH1A1MEN1NPC1RAB9AKMT2A

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 2257/4885CYP1A2 373/4885OGG1 4331/4885

“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.