SCHEMBL8235756

SCHEMBL8235756

CC(C)(C)OC(=O)N1CCN(C(=O)c2ncn(C3CCN(C(=O)c4ccccc4)C3)c2-c2ccccc2)[C@H](Cc2ccccc2)C1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABHD6 Q9BV23 1/20 0.45
DAGLA Q9Y4D2 1/20 0.45
CA1 P00915 12/20 0.44
CA2 P00918 12/20 0.44
CA4 P22748 12/20 0.44
CA9 Q16790 12/20 0.44
EGFR P00533 1/20 0.44
SRC P12931 1/20 0.44
PARP1 P09874 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
USP30 Q70CQ3 2/20 0.39
DPP4 P27487 1/20 0.39
ABCB1 P08183 1/20 0.39

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
SCHEMBL8235955 0.95 ABHD6 (0.44) ABHD6DAGLACA1CA2CA4
SCHEMBL8237252 0.93 ABHD6 (0.46) ABHD6DAGLACA1CA2CA4
SCHEMBL8235760 0.92 ABHD6 (0.46) ABHD6DAGLAEGFRSRCPARP1
SCHEMBL8240234 0.92 ABHD6 (0.46) ABHD6DAGLAEGFRSRCPARP1
SCHEMBL8238426 0.90 ABHD6 (0.47) ABHD6DAGLACA1CA2CA4
SCHEMBL8230155 0.89 ABHD6 (0.45) ABHD6DAGLACA1CA2CA4
SCHEMBL8235741 0.89 ABHD6 (0.45) ABHD6DAGLACA1CA2CA4
SCHEMBL13340905 0.89 ABHD6 (0.45) ABHD6DAGLACA1CA2CA4
SCHEMBL13705167 0.89 ABHD6 (0.47) ABHD6DAGLACA1CA2CA4
SCHEMBL3495075 0.89 CA1 (0.49) CA1CA2CA4CA9ABCB1

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 4388/4885CA1 2606/4885

“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.