SCHEMBL1390937

SCHEMBL1390937

CCOc1cccc(COc2ccc3cc(C(C)NC(C)=O)oc3c2)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.51
MAOA P21397 5/20 0.51
ACACB O00763 4/20 0.49
NPC1 O15118 2/20 0.49
ACACA Q13085 1/20 0.49
RAB9A P51151 1/20 0.49
POLB P06746 1/20 0.46
SLC16A3 O15427 1/20 0.44
TP53 P04637 1/20 0.44
PKM P14618 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.44

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
SCHEMBL1391350 0.91 MAOA (0.51) MAOBMAOAACACBNPC1ACACA
SCHEMBL2318663 0.89 NPC1 (0.49) MAOBMAOAACACBNPC1ACACA
SCHEMBL1390722 0.88 MAOA (0.64) MAOBMAOAACACBNPC1SLC16A3
SCHEMBL1391325 0.84 MAOA (0.43) MAOBMAOAACACBNPC1ACACA
SCHEMBL7923084 0.84 MAOA (0.43) MAOBMAOAACACBNPC1ACACA
SCHEMBL12433342 0.84 MAOA (0.53) MAOBMAOAACACBNPC1ACACA
SCHEMBL1391226 0.83 NPC1 (0.49) ACACBNPC1ACACARAB9APOLB
SCHEMBL1390787 0.82 MAOA (0.51) MAOBMAOAACACBNPC1ACACA
SCHEMBL1390871 0.82 NPC1 (0.48) ACACBNPC1ACACARAB9APOLB
SCHEMBL1392027 0.81 MAOA (0.41) MAOBMAOAACACBACACA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8501804-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-06 US disclosed
US-8501804-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-06 US disclosed
US-8501804-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-06 US disclosed
US-20120010247-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-12 US disclosed
US-20120010247-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-12 US disclosed
US-20120010247-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-12 US disclosed
EP-2351743-A1 BICYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-08-03 EP disclosed
WO-2010050445-A1 BICYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2010-05-06 WO 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-20120010247-A1 BICYCLIC COMPOUND ACACA, CPT1B, ACACB MAOB 4207/4885MAOA 3960/4885ACACB 3/4885

“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.