SCHEMBL2552415

SCHEMBL2552415

CC(=O)CO[C@H]1CC[C@H](c2cc3ccc(OCC4CC4)cc3o2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.43
RAB9A P51151 6/20 0.41
NPC1 O15118 4/20 0.41
MAOA P21397 2/20 0.41
ACACB O00763 4/20 0.39
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 5/20 0.38
HPGD P15428 5/20 0.38
HSD17B10 Q99714 4/20 0.38
TP53 P04637 2/20 0.38
MTNR1A P48039 1/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
GBA1 P04062 1/20 0.36
POLB P06746 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL2552421 1.00 MAOB (0.43) MAOBRAB9ANPC1MAOAACACB
SCHEMBL14734872 0.84 MAOB (0.41) MAOBMAOAACACBKDM4EALDH1A1
SCHEMBL14734873 0.84 CA12 (0.41) MAOBRAB9ANPC1MAOAKDM4E
SCHEMBL2546088 0.84 ALDH1A1 (0.43) MAOBNPC1MAOAKDM4EALDH1A1
SCHEMBL2546086 0.84 ALDH1A1 (0.43) MAOBNPC1MAOAKDM4EALDH1A1
SCHEMBL2548605 0.84 ACACB (0.59) ACACB
SCHEMBL2548606 0.84 ACACB (0.59) ACACB
SCHEMBL2553358 0.83 MAOB (0.41) MAOBMAOAACACBMTNR1AGLA
SCHEMBL2553357 0.83 MAOB (0.41) MAOBMAOAACACBMTNR1AGLA
SCHEMBL2548901 0.82 F2RL3 (0.45) RAB9ANPC1ACACBTP53MAPT

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 MAOB 3507/4885RAB9A 3890/4885NPC1 1126/4885

“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.