SCHEMBL13340982

SCHEMBL13340982

CCOc1nc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2Cc2ccccc2)c(-c2ccccc2)n1-c1cccc(N2CCOCC2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.44
NR1H3 Q13133 2/20 0.44
CETP P11597 1/20 0.43
USP30 Q70CQ3 1/20 0.42
ABHD6 Q9BV23 1/20 0.41
DAGLA Q9Y4D2 1/20 0.41
DPP4 P27487 1/20 0.40
PARP1 P09874 1/20 0.36
CKS1B P61024 1/20 0.36
SKP1 P63208 1/20 0.36
SKP2 Q13309 1/20 0.36
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
HDAC1 Q13547 1/20 0.35
CCKAR P32238 1/20 0.35
VCP P55072 1/20 0.35
PIK3CA P42336 2/20 0.35
AKT1 P31749 1/20 0.35
MTOR P42345 1/20 0.35

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
SCHEMBL3493409 0.92 CCKAR (0.37) NR1H2NR1H3CETPCCKARPIK3CA
SCHEMBL4988216 0.90 NR1H2 (0.46) NR1H2NR1H3CETPUSP30ABHD6
SCHEMBL8229917 0.87 NR1H2 (0.57) NR1H2NR1H3ABHD6DAGLADPP4
SCHEMBL3492470 0.81 HCRTR1 (0.39) NR1H2NR1H3
SCHEMBL13340899 0.80 NR1H2 (0.41) NR1H2NR1H3CETPUSP30ABHD6
SCHEMBL13341024 0.80 NR1H2 (0.38) NR1H2NR1H3USP30ABHD6DAGLA
SCHEMBL13340903 0.80 CKS1B (0.38) USP30ABHD6DAGLAPARP1CKS1B
SCHEMBL8237600 0.79 ABHD6 (0.48) NR1H2NR1H3ABHD6DAGLADPP4
SCHEMBL13341021 0.78 CKS1B (0.37) USP30ABHD6DAGLAPARP1CKS1B
SCHEMBL3495015 0.78 NR1H2 (0.48) NR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-13 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-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension REN, AGTR1, AGTR2 NR1H2 339/4885NR1H3 293/4885CETP 2019/4885

“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.