SCHEMBL2547192

SCHEMBL2547192

OC1CCC(c2cc3ccc(OCC4CC4)cc3o2)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.42
MAOA P21397 2/20 0.40
SLC6A2 P23975 3/20 0.40
SLC6A4 P31645 3/20 0.40
HTR3A P46098 2/20 0.40
KCNH2 Q12809 2/20 0.40
ACHE P22303 2/20 0.39
SIGMAR1 Q99720 4/20 0.38
SLC6A3 Q01959 2/20 0.38
PARP15 Q460N3 2/20 0.37
PARP10 Q53GL7 2/20 0.37
CHEK2 O96017 1/20 0.37
PDK2 Q15119 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
MTNR1A P48039 1/20 0.36
BCHE P06276 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
SCHEMBL2547190 1.00 MAOB (0.42) MAOBMAOASLC6A2SLC6A4HTR3A
SCHEMBL14734835 0.86 SLC6A2 (0.41) MAOBMAOASLC6A2SLC6A4HTR3A
SCHEMBL14734873 0.81 CA12 (0.41) MAOBMAOASLC6A2SLC6A4HTR3A
SCHEMBL14734872 0.81 MAOB (0.41) MAOBMAOASLC6A2SLC6A4HTR3A
SCHEMBL2552415 0.81 MAOB (0.43) MAOBMAOAMTNR1A
SCHEMBL2552421 0.81 MAOB (0.43) MAOBMAOAMTNR1A
SCHEMBL2553358 0.81 MAOB (0.41) MAOBMAOASLC6A2SLC6A4HTR3A
SCHEMBL2553357 0.81 MAOB (0.41) MAOBMAOASLC6A2SLC6A4HTR3A
SCHEMBL2546225 0.79 MAOB (0.39) MAOBMAOASLC6A2SLC6A4HTR3A
SCHEMBL2546222 0.79 MAOB (0.39) MAOBMAOASLC6A2SLC6A4HTR3A

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 3507/4885MAOA 3136/4885SLC6A2 4553/4885

“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.