SCHEMBL2551554

SCHEMBL2551554

O=C(CO[C@H]1CC[C@H](c2nc3ccc(OCC4CC4)cc3o2)CC1)N1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.47
LMNA P02545 3/20 0.43
POLB P06746 3/20 0.43
MAPT P10636 4/20 0.42
RECQL P46063 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
F2RL3 Q96RI0 2/20 0.41
FKBP1A P62942 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PDE2A O00408 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
P2RY12 Q9H244 1/20 0.40
SCN7A Q01118 1/20 0.40
KCNH2 Q12809 1/20 0.40
GAA P10253 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ATXN2 Q99700 1/20 0.39

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
SCHEMBL2551560 1.00 TP53 (0.47) TP53LMNAPOLBMAPTRECQL
SCHEMBL2548816 0.86 ACACA (0.51) TP53POLBMAPTRECQLKDM4E
SCHEMBL2548901 0.84 F2RL3 (0.45) TP53LMNAPOLBMAPTRECQL
SCHEMBL2548902 0.84 F2RL3 (0.45) TP53LMNAPOLBMAPTRECQL
SCHEMBL2546088 0.84 ALDH1A1 (0.43) TP53POLBMAPTRECQLKDM4E
SCHEMBL2546086 0.84 ALDH1A1 (0.43) TP53POLBMAPTRECQLKDM4E
SCHEMBL2547427 0.82 ACACA (0.41) TP53POLBMAPTRECQLKDM4E
SCHEMBL2549907 0.77 ACACB (0.45) LMNAMAPTRECQLF2RL3SMN1; SMN2
SCHEMBL2549910 0.77 ACACB (0.45) LMNAMAPTRECQLF2RL3SMN1; SMN2
SCHEMBL2546038 0.77 F2RL3 (0.47) TP53LMNAPOLBMAPTRECQL

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 TP53 2189/4885LMNA 1054/4885POLB 3979/4885

“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.