SCHEMBL256864

SCHEMBL256864

C#Cc1cccc(C(=O)N2CCN(C(C)C)CC2)c1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.57
EPHX2 P34913 1/20 0.50
HRH3 Q9Y5N1 8/20 0.49
CHRNA7 P36544 2/20 0.48
MGLL Q99685 1/20 0.48
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
POLB P06746 1/20 0.45
PDCD1 Q15116 1/20 0.44
CD274 Q9NZQ7 1/20 0.44

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
SCHEMBL13504090 0.86 MGLL (0.64) ACACBEPHX2HRH3CHRNA7MGLL
SCHEMBL14661743 0.85 GRM5 (0.57) ACACBEPHX2ALDH1A1TP53MEN1
SCHEMBL16236413 0.83 HPGD (0.59) ACACBALDH1A1TP53MEN1KMT2A
SCHEMBL10195744 0.80 HPGD (0.68) EPHX2CHRNA7MGLLALDH1A1TP53
SCHEMBL256843 0.79 L3MBTL1 (0.58) ACACBALDH1A1TP53MEN1KMT2A
SCHEMBL13503921 0.79 MEN1 (0.68) HRH3CHRNA7MGLLALDH1A1MEN1
SCHEMBL13503747 0.79 SMN1; SMN2 (0.70) EPHX2ALDH1A1GAAHTT
SCHEMBL31274032 0.78 CRBN (0.53) EPHX2ALDH1A1TP53MEN1KMT2A
SCHEMBL19464784 0.78 SLC6A7 (0.60) EPHX2HRH3ALDH1A1MEN1KMT2A
SCHEMBL12777929 0.78 MAOB (0.68) HRH3CHRNA7ALDH1A1KMT2APOLB

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 2257/4885EPHX2 804/4885HRH3 1099/4885

“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.