SCHEMBL3494701

SCHEMBL3494701

Cc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2Cc2ccccc2)c(-c2ccccc2)n1-c1cccc(N)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.47
NR1H3 Q13133 2/20 0.47
ABHD6 Q9BV23 1/20 0.44
DAGLA Q9Y4D2 1/20 0.44
DPP4 P27487 1/20 0.43
KAT7 O95251 1/20 0.40
PARP1 P09874 2/20 0.39
CA1 P00915 10/20 0.38
CA2 P00918 10/20 0.38
CA4 P22748 10/20 0.38
CA9 Q16790 10/20 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
SCHEMBL3494284 0.92 NR1H2 (0.46) NR1H2NR1H3ABHD6DAGLADPP4
SCHEMBL3494805 0.91 NR1H2 (0.46) NR1H2NR1H3ABHD6DAGLADPP4
SCHEMBL5141229 0.90 CA1 (0.42) NR1H2NR1H3CA1CA2CA4
SCHEMBL8237503 0.89 NR1H2 (0.46) NR1H2NR1H3ABHD6DAGLADPP4
SCHEMBL13340386 0.89 NR1H2 (0.44) NR1H2NR1H3ABHD6DAGLADPP4
SCHEMBL8238325 0.89 NR1H2 (0.44) NR1H2NR1H3ABHD6DAGLADPP4
SCHEMBL3496189 0.88 NR1H2 (0.46) NR1H2NR1H3ABHD6DAGLADPP4
SCHEMBL8237620 0.88 NR1H2 (0.46) NR1H2NR1H3ABHD6DAGLADPP4
SCHEMBL8235365 0.88 NR1H2 (0.44) NR1H2NR1H3ABHD6DAGLADPP4
SCHEMBL13340440 0.88 NR1H2 (0.43) NR1H2NR1H3ABHD6DAGLADPP4

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
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 NR1H2 339/4885NR1H3 293/4885ABHD6 2780/4885

“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.