SCHEMBL8236038

SCHEMBL8236038

Cc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2CO)c(-c2ccccc2)n1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KAT7 O95251 2/20 0.40
GPR119 Q8TDV5 2/20 0.39
USP30 Q70CQ3 6/20 0.38
ABHD6 Q9BV23 1/20 0.38
DAGLA Q9Y4D2 1/20 0.38
NR1H2 P55055 2/20 0.38
NR1H3 Q13133 2/20 0.38
ROCK2 O75116 1/20 0.38
PARP1 P09874 1/20 0.37
KAT8 Q9H7Z6 1/20 0.37
TP53 P04637 2/20 0.37
THRB P10828 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL3491499 0.92 KAT7 (0.40) KAT7GPR119USP30ABHD6DAGLA
SCHEMBL8238421 0.91 KAT7 (0.39) KAT7GPR119USP30ABHD6DAGLA
SCHEMBL13341218 0.91 PARP1 (0.39) KAT7GPR119USP30ABHD6DAGLA
SCHEMBL13341002 0.90 KAT7 (0.40) KAT7GPR119USP30ABHD6DAGLA
SCHEMBL13341187 0.89 KAT7 (0.39) KAT7GPR119USP30ABHD6DAGLA
SCHEMBL8235365 0.88 NR1H2 (0.44) KAT7GPR119ABHD6DAGLANR1H2
SCHEMBL8235764 0.88 KAT7 (0.39) KAT7GPR119USP30ABHD6DAGLA
SCHEMBL3493537 0.88 GPR119 (0.41) GPR119USP30ROCK2TP53THRB
SCHEMBL3492063 0.88 ALDH1A1 (0.41) TP53MAPT
SCHEMBL13341219 0.88 HCRTR1 (0.42) KAT7GPR119USP30ABHD6DAGLA

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-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
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
WO-2007094513-A2 CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-08-23 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-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension REN, AGTR1, AGTR2 KAT7 1058/4885GPR119 689/4885USP30 2733/4885

“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.