SCHEMBL2542953

SCHEMBL2542953

O=C(COC1CCN(c2nc3ccc(O)cc3o2)CC1)N1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.46
ALDH1A1 P00352 2/20 0.43
GPR119 Q8TDV5 2/20 0.41
MGLL Q99685 3/20 0.40
CNR2 P34972 3/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
NAAA Q02083 1/20 0.39
ACACA Q13085 1/20 0.39
F2 P00734 1/20 0.38
TPSAB1 Q15661 1/20 0.38
TPSD1 Q9BZJ3 1/20 0.38
TPSG1 Q9NRR2 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
SCN7A Q01118 1/20 0.37
KCNH2 Q12809 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL2548816 0.85 ACACA (0.51) KMT2AGAAALDH1A1ACACASCN7A
SCHEMBL21815009 0.78 AR (0.52) KMT2AGAAALDH1A1GPR119MGLL
SCHEMBL15641630 0.75 ACACA (0.46) MGLLHTTACACASMN1; SMN2
SCHEMBL21815030 0.73 MGLL (0.48) MGLLHTTNAAASMN1; SMN2
SCHEMBL2545092 0.73 ACACA (0.41) KMT2AGAAALDH1A1MGLLCNR2
SCHEMBL2547427 0.72 ACACA (0.41) ALDH1A1ACACASCN7AKCNH2NPC1
SCHEMBL24095120 0.71 ESR1 (0.42) MGLLHTTNAAAIRAK4SMN1; SMN2
SCHEMBL21814752 0.71 ESR1 (0.42) MGLLHTTNAAAIRAK4SMN1; SMN2
SCHEMBL2551560 0.70 TP53 (0.47) GAAALDH1A1SCN7AKCNH2NPC1
SCHEMBL2551554 0.70 TP53 (0.47) GAAALDH1A1SCN7AKCNH2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2563765-B1 BICYCLIC COMPOUND DERIVATIVES AND THEIR USE AS ACC INHIBITORS. TAKEDA PHARMACEUTICAL (JP) 2015-05-27 EP disclosed
US-8703758-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-04-22 US disclosed
EP-2563765-A1 BICYCLIC COMPOUND DERIVATIVES AND THEIR USE AS ACC INHIBITORS. Takeda Pharmaceutical Company Limited (JP) 2013-03-06 EP disclosed
WO-2011136385-A1 BICYCLIC COMPOUND DERIVATIVES AND THEIR USE AS ACC INHIBITORS. TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-11-03 WO disclosed
US-20110263562-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-27 US 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-20110263562-A1 BICYCLIC COMPOUND ACACA, CPT1B, ACACB KMT2A 2195/4885GAA 782/4885ALDH1A1 583/4885

“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.