SCHEMBL2553357

SCHEMBL2553357

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

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.41
ACACB O00763 8/20 0.41
MAOA P21397 2/20 0.39
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
HTR3A P46098 1/20 0.34
KCNH2 Q12809 1/20 0.34
ACHE P22303 1/20 0.34
MTNR1A P48039 1/20 0.34
ACACA Q13085 2/20 0.33
GLA P06280 1/20 0.33

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
SCHEMBL2553358 1.00 MAOB (0.41) MAOBACACBMAOASLC6A2SLC6A4
SCHEMBL2546225 0.90 MAOB (0.39) MAOBACACBMAOASLC6A2SLC6A4
SCHEMBL2546222 0.90 MAOB (0.39) MAOBACACBMAOASLC6A2SLC6A4
SCHEMBL2548605 0.86 ACACB (0.59) ACACBACACA
SCHEMBL2548606 0.86 ACACB (0.59) ACACBACACA
SCHEMBL2550836 0.84 MAOB (0.38) MAOBACACBMAOAACHEMTNR1A
SCHEMBL2550833 0.84 MAOB (0.38) MAOBACACBMAOAACHEMTNR1A
SCHEMBL14734872 0.84 MAOB (0.41) MAOBACACBMAOASLC6A2SLC6A4
SCHEMBL14734873 0.84 CA12 (0.41) MAOBMAOASLC6A2SLC6A4HTR3A
SCHEMBL2552415 0.83 MAOB (0.43) MAOBACACBMAOAMTNR1AGLA

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 4 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
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 3507/4885ACACB 3/4885MAOA 3136/4885

“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.