SCHEMBL13341024

SCHEMBL13341024

CCOc1nc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2CS(=O)(=O)c2ccccc2)c(-c2ccccc2)n1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 6/20 0.38
NR1H3 Q13133 6/20 0.38
CKS1B P61024 2/20 0.38
SKP1 P63208 2/20 0.38
SKP2 Q13309 2/20 0.38
PIK3CA P42336 1/20 0.38
PARP1 P09874 1/20 0.38
KAT7 O95251 1/20 0.36
ABHD6 Q9BV23 1/20 0.36
DAGLA Q9Y4D2 1/20 0.36
USP30 Q70CQ3 2/20 0.36
MMP13 P45452 2/20 0.35
APLNR P35414 1/20 0.34
GPR119 Q8TDV5 1/20 0.34

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
SCHEMBL3494568 0.91 KMT2A (0.35)
SCHEMBL13340903 0.86 CKS1B (0.38) CKS1BSKP1SKP2PARP1ABHD6
SCHEMBL8229917 0.86 NR1H2 (0.57) NR1H2NR1H3PIK3CAABHD6DAGLA
SCHEMBL13341021 0.85 CKS1B (0.37) CKS1BSKP1SKP2PARP1ABHD6
SCHEMBL13340982 0.80 NR1H2 (0.44) NR1H2NR1H3CKS1BSKP1SKP2
SCHEMBL3495634 0.76 ALDH1A1 (0.34)
SCHEMBL8237600 0.76 ABHD6 (0.48) NR1H2NR1H3PARP1ABHD6DAGLA
SCHEMBL3495015 0.76 NR1H2 (0.48) NR1H2NR1H3
SCHEMBL3493284 0.75 TP53 (0.34)
SCHEMBL13705297 0.72 APLNR (0.34) NR1H2NR1H3PARP1KAT7ABHD6

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 293/4885CKS1B 688/4885

“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.