SCHEMBL2190408

SCHEMBL2190408

COC(=O)c1cnc(N2CC[C@@H](OC)C2)nc1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.50
DGAT2 Q96PD7 2/20 0.45
ACACB O00763 10/20 0.44
HRH3 Q9Y5N1 2/20 0.44
ADRA1A P35348 1/20 0.43
OGA O60502 1/20 0.43
VNN1 O95497 2/20 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
SCHEMBL2188537 0.88 ACACB (0.45) AOC3DGAT2ACACBOGA
Hydrochloric Acid SCHEMBL2189524 0.86 AOC3 (0.50) AOC3DGAT2ACACBHRH3ADRA1A
SCHEMBL2224165 0.83 HRH3 (0.60) ACACBHRH3ADRA1AOGA
SCHEMBL23582526 0.79 KDM4E (0.59) AOC3OGA
SCHEMBL24880446 0.78 HRH3 (0.47) AOC3DGAT2ACACBHRH3OGA
SCHEMBL24880754 0.78 POLB (0.56) AOC3DGAT2ACACBHRH3ADRA1A
SCHEMBL23582487 0.78 HDAC6 (0.53) AOC3OGA
SCHEMBL9883424 0.78 OGA (0.46) AOC3HRH3OGA
SCHEMBL9883423 0.78 OGA (0.46) AOC3OGA
SCHEMBL15341333 0.78 OGA (0.46) AOC3OGA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110172204-A1 COMPOUNDS AND THEIR USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-14 US disclosed
WO-2011083314-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-14 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-20110172204-A1 COMPOUNDS AND THEIR USE HRH3, HRH4, HRH2 AOC3 468/4885DGAT2 4425/4885ACACB 4566/4885

“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.