SCHEMBL1391306

SCHEMBL1391306

COc1ccc(CCc2ccc3oc(C(C)N)cc3c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.46
TAS1R3 Q7RTX0 9/20 0.45
TAS1R1 Q7RTX1 9/20 0.45
PTGES O14684 1/20 0.44
ALOX5 P09917 1/20 0.44
SLC6A4 P31645 1/20 0.44
TAAR1 Q96RJ0 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL1390587 0.86 POLB (0.42) TAS1R3TAS1R1KMT2A
SCHEMBL1390663 0.86 ALOX5 (0.50) MAOATAS1R3TAS1R1PTGESALOX5
SCHEMBL20559453 0.84 TAS1R3 (0.56) TAS1R3TAS1R1
SCHEMBL9826727 0.84 TAS1R3 (0.56) TAS1R3TAS1R1
Hydrochloric Acid SCHEMBL10458712 0.82 TAS1R3 (0.55) TAS1R3TAS1R1
SCHEMBL15159411 0.80 ALOX5 (0.40) MAOATAS1R3TAS1R1PTGESALOX5
SCHEMBL1391983 0.79 MAOA (0.47) MAOATAS1R3TAS1R1KMT2A
SCHEMBL1390828 0.78 SMN1; SMN2 (0.54) MAOATAS1R3TAS1R1PTGESALOX5
SCHEMBL1391076 0.76 CA12 (0.36) MAOA
SCHEMBL10460824 0.74 CA2 (0.54) KMT2A

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 3 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-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

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.