SCHEMBL3495158

SCHEMBL3495158

CC(C)(C)OC(=O)N1CCN(C(=O)c2ccn(-c3cc(O)ccc3[N+](=O)[O-])c2-c2ccccc2)[C@H](Cc2ccccc2)C1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABHD6 Q9BV23 1/20 0.41
DAGLA Q9Y4D2 1/20 0.41
NR1H2 P55055 2/20 0.38
NR1H3 Q13133 2/20 0.38
PARP1 P09874 1/20 0.38
CA1 P00915 12/20 0.38
CA2 P00918 12/20 0.38
CA4 P22748 12/20 0.38
CA9 Q16790 12/20 0.38
DPP4 P27487 1/20 0.38
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ROCK2 O75116 1/20 0.35
MEN1 O00255 1/20 0.35
NPBWR1 P48145 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MCHR1 Q99705 1/20 0.35

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
SCHEMBL8240430 0.92 ABHD6 (0.44) ABHD6DAGLANR1H2NR1H3CA1
SCHEMBL3494075 0.90 CA1 (0.41) CA1CA2CA4CA9MEN1
SCHEMBL3494069 0.90 CA1 (0.41) CA1CA2CA4CA9MEN1
SCHEMBL3496049 0.84 ALDH1A1 (0.46) ABHD6DAGLANR1H2NR1H3PARP1
SCHEMBL3496456 0.83 ABHD6 (0.46) ABHD6DAGLANR1H2NR1H3PARP1
SCHEMBL3495443 0.83 MAPT (0.43) CA1CA2CA4CA9MAPT
SCHEMBL3495440 0.83 MAPT (0.43) CA1CA2CA4CA9MAPT
SCHEMBL8237297 0.81 MAPT (0.34) PARP1MAPTMAPK1TDP1MEN1
SCHEMBL8235801 0.81 ABHD6 (0.47) ABHD6DAGLANR1H2NR1H3PARP1
SCHEMBL13340190 0.80 ABHD6 (0.46) 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 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
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

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.