SCHEMBL8229767

SCHEMBL8229767

CC(C)(C)OC(=O)N1CCN(C(=O)c2ncn(CC3(O)CCN(S(C)(=O)=O)CC3)c2-c2ccccc2)[C@H](Cc2ccccc2)C1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABHD6 Q9BV23 1/20 0.43
DAGLA Q9Y4D2 1/20 0.43
NR1H2 P55055 2/20 0.41
NR1H3 Q13133 2/20 0.41
CA1 P00915 11/20 0.39
CA2 P00918 11/20 0.39
CA4 P22748 11/20 0.39
CA9 Q16790 11/20 0.39
PARP1 P09874 1/20 0.38
DPP4 P27487 1/20 0.37
USP19 O94966 1/20 0.37
USP7 Q93009 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
GPR119 Q8TDV5 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
SCHEMBL8236501 0.93 ABHD6 (0.42) ABHD6DAGLANR1H2NR1H3CA1
SCHEMBL8235657 0.92 ABHD6 (0.41) ABHD6DAGLANR1H2NR1H3CA1
SCHEMBL3491838 0.91 CA1 (0.42) CA1CA2CA4CA9USP7
SCHEMBL8236128 0.90 ABHD6 (0.43) ABHD6DAGLACA1CA2CA4
SCHEMBL8238147 0.90 ABHD6 (0.43) ABHD6DAGLANR1H2NR1H3CA1
SCHEMBL8235940 0.89 ABHD6 (0.44) ABHD6DAGLANR1H2NR1H3CA1
SCHEMBL8237203 0.89 ABHD6 (0.44) ABHD6DAGLANR1H2NR1H3CA1
SCHEMBL8231279 0.87 ABHD6 (0.40) ABHD6DAGLANR1H2NR1H3CA1
SCHEMBL8238575 0.85 ABHD6 (0.42) ABHD6DAGLANR1H2NR1H3CA1
SCHEMBL4978691 0.85 ABHD6 (0.42) ABHD6DAGLANR1H2NR1H3PARP1

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-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 ABHD6 2780/4885DAGLA 4388/4885NR1H2 339/4885

“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.