SCHEMBL1391983

SCHEMBL1391983

COc1ccc(CCc2ccc3oc(C(C)NC(C)=O)cc3c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.47
TAS1R3 Q7RTX0 9/20 0.47
TAS1R1 Q7RTX1 9/20 0.47
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KMT2A Q03164 1/20 0.44
ACACB O00763 2/20 0.44
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
SLC6A2 P23975 1/20 0.43
RAB9A P51151 1/20 0.43
SLC6A3 Q01959 1/20 0.43

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
SCHEMBL1390599 0.89 ACACB (0.50) ALDH1A1KMT2AACACBNPC1
SCHEMBL1390744 0.87 KDM4E (0.43) ALDH1A1SMN1; SMN2ACACBKDM4ELMNA
SCHEMBL1391430 0.87 ACACB (0.52) ALDH1A1ACACBLMNA
SCHEMBL1391485 0.87 ACACB (0.48) ALDH1A1ACACB
SCHEMBL7924591 0.86 TAS1R3 (0.57) TAS1R3TAS1R1ALDH1A1KMT2AKDM4E
SCHEMBL1391301 0.84 ACACB (0.54) ACACB
SCHEMBL1390698 0.81 CA12 (0.50) MAOATAS1R3TAS1R1ALDH1A1SMN1; SMN2
SCHEMBL1390663 0.81 ALOX5 (0.50) MAOATAS1R3TAS1R1SMN1; SMN2KMT2A
SCHEMBL1391686 0.80 ACACB (0.43) MAOASMN1; SMN2ACACB
SCHEMBL1391226 0.80 NPC1 (0.49) ALDH1A1SMN1; SMN2KMT2AACACBNPC1

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 9 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
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 MAOA 3960/4885TAS1R3 4784/4885TAS1R1 4716/4885

“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.