SCHEMBL8236128

SCHEMBL8236128

CC(C)(C)OC(=O)N1CCN(C(=O)c2ncn(CC3(O)CCN(C(=O)c4ccccc4)CC3)c2-c2ccccc2)[C@H](Cc2ccccc2)C1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABHD6 Q9BV23 1/20 0.43
DAGLA Q9Y4D2 1/20 0.43
USP7 Q93009 3/20 0.43
CA1 P00915 10/20 0.41
CA2 P00918 10/20 0.41
CA4 P22748 10/20 0.41
CA9 Q16790 10/20 0.41
USP19 O94966 1/20 0.41
ABCB1 P08183 1/20 0.39
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
PARP1 P09874 1/20 0.38
DPP4 P27487 1/20 0.38
HDAC1 Q13547 1/20 0.38

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
SCHEMBL13341121 0.92 ABHD6 (0.42) ABHD6DAGLACA1CA2CA4
SCHEMBL8238147 0.91 ABHD6 (0.43) ABHD6DAGLAUSP7CA1CA2
SCHEMBL8235940 0.91 ABHD6 (0.44) ABHD6DAGLAUSP7CA1CA2
SCHEMBL8237203 0.91 ABHD6 (0.44) ABHD6DAGLAUSP7CA1CA2
SCHEMBL8229767 0.90 ABHD6 (0.43) ABHD6DAGLAUSP7CA1CA2
SCHEMBL3495466 0.89 USP7 (0.47) USP7CA1CA2CA4CA9
SCHEMBL8236501 0.89 ABHD6 (0.42) ABHD6DAGLACA1CA2CA4
SCHEMBL8238575 0.86 ABHD6 (0.42) ABHD6DAGLAUSP7CA1CA2
SCHEMBL4978691 0.86 ABHD6 (0.42) ABHD6DAGLAUSP19OPRD1OPRK1
SCHEMBL8235657 0.85 ABHD6 (0.41) ABHD6DAGLACA1CA2CA4

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 4388/4885USP7 1774/4885

“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.