SCHEMBL2548816

SCHEMBL2548816

O=C(COC1CCN(c2nc3ccc(OCC4CC4)cc3o2)CC1)N1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACA Q13085 2/20 0.51
ACACB O00763 3/20 0.45
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
POLB P06746 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
RECQL P46063 1/20 0.42
SCN7A Q01118 1/20 0.42
KCNH2 Q12809 1/20 0.42
F2RL3 Q96RI0 2/20 0.41
FKBP1A P62942 5/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PRKDC P78527 1/20 0.41
PDE2A O00408 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40

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
SCHEMBL2547427 0.87 ACACA (0.41) ACACAACACBALDH1A1HPGDPOLB
SCHEMBL2548824 0.86 ACACA (0.59) ACACAACACBF2RL3
SCHEMBL2551554 0.86 TP53 (0.47) GAAALDH1A1HPGDPOLBKDM4E
SCHEMBL2551560 0.86 TP53 (0.47) GAAALDH1A1HPGDPOLBKDM4E
SCHEMBL2542953 0.85 KMT2A (0.46) ACACAGAAKMT2AALDH1A1TP53
SCHEMBL2546086 0.79 ALDH1A1 (0.43) GAAALDH1A1HPGDPOLBKDM4E
SCHEMBL2546088 0.79 ALDH1A1 (0.43) GAAALDH1A1HPGDPOLBKDM4E
SCHEMBL2546952 0.78 ACACA (0.69) ACACAACACB
SCHEMBL15641628 0.78 ACACA (0.60) ACACAACACB
SCHEMBL2549212 0.77 ACACA (0.55) ACACAACACBF2RL3SMN1; SMN2

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 ACACA 1/4885ACACB 3/4885GAA 782/4885

“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.