SCHEMBL4982247

SCHEMBL4982247

CC(C)(C)OC(=O)N1CCN(C(=O)c2ncn(-c3cccc(OCc4ccccc4)c3)c2-c2ccccc2)[C@H](Cc2ccccc2)C1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABHD6 Q9BV23 1/20 0.46
DAGLA Q9Y4D2 1/20 0.46
NR1H2 P55055 2/20 0.45
NR1H3 Q13133 2/20 0.45
PARP1 P09874 1/20 0.42
DPP4 P27487 1/20 0.42
PRMT5 O14744 5/20 0.41
YAP1 P46937 3/20 0.39
FAAH O00519 1/20 0.39
GPR119 Q8TDV5 2/20 0.39
GHSR Q92847 2/20 0.38
MGLL Q99685 1/20 0.38
SPHK2 Q9NRA0 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
SCHEMBL8235836 0.92 NR1H2 (0.46) ABHD6DAGLANR1H2NR1H3PARP1
SCHEMBL3492728 0.90 SPHK2 (0.41) FAAHMGLLSPHK2
SCHEMBL8229919 0.88 ABHD6 (0.42) ABHD6DAGLANR1H2NR1H3PARP1
SCHEMBL3494753 0.87 ABHD6 (0.49) ABHD6DAGLANR1H2NR1H3PARP1
SCHEMBL3494932 0.87 ABHD6 (0.49) ABHD6DAGLANR1H2NR1H3PARP1
SCHEMBL13340899 0.82 NR1H2 (0.41) ABHD6DAGLANR1H2NR1H3PARP1
SCHEMBL3493898 0.81 NR1H2 (0.44) ABHD6DAGLANR1H2NR1H3PARP1
SCHEMBL3494077 0.81 ABHD6 (0.52) ABHD6DAGLANR1H2NR1H3PARP1
SCHEMBL3491863 0.81 CA1 (0.40)
SCHEMBL13340983 0.80 ABHD6 (0.48) 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 4 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
EP-1984355-A2 CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION Takeda Pharmaceutical Company Limited (JP) 2008-10-29 EP 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.