SCHEMBL3493714

SCHEMBL3493714

CC(C)(C)OC(=O)N1CCN(C(=O)c2ccn(-c3ccccc3NC(=O)CCCC(=O)O)c2-c2ccccc2)C(Cc2ccccc2)C1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.41
ABHD6 Q9BV23 1/20 0.41
DAGLA Q9Y4D2 1/20 0.41
NR1H2 P55055 2/20 0.36
NR1H3 Q13133 2/20 0.36
PARP1 P09874 1/20 0.36
DPP4 P27487 1/20 0.36
CA1 P00915 10/20 0.36
CA2 P00918 10/20 0.36
CA4 P22748 10/20 0.36
CA9 Q16790 10/20 0.36
TSHR P16473 2/20 0.35
GPR119 Q8TDV5 1/20 0.34
BRD4 O60885 1/20 0.34
LMNA P02545 1/20 0.34
PLA2G1B P04054 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34

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
SCHEMBL13340197 0.94 HDAC1 (0.41) HDAC1ABHD6DAGLANR1H2NR1H3
SCHEMBL8236046 0.94 HDAC1 (0.41) HDAC1ABHD6DAGLANR1H2NR1H3
SCHEMBL8237483 0.94 TSHR (0.42) HDAC1ABHD6DAGLANR1H2NR1H3
SCHEMBL8236058 0.94 HDAC1 (0.44) HDAC1ABHD6DAGLANR1H2NR1H3
SCHEMBL8231116 0.93 TSHR (0.43) HDAC1ABHD6DAGLANR1H2NR1H3
SCHEMBL3494235 0.93 HDAC1 (0.39) HDAC1ABHD6DAGLANR1H2NR1H3
SCHEMBL13340412 0.90 HDAC1 (0.40) HDAC1ABHD6DAGLANR1H2NR1H3
SCHEMBL3496456 0.86 ABHD6 (0.46) HDAC1ABHD6DAGLANR1H2NR1H3
SCHEMBL13340400 0.86 ABHD6 (0.42) HDAC1ABHD6DAGLANR1H2NR1H3
SCHEMBL13340403 0.85 ABHD6 (0.43) HDAC1ABHD6DAGLANR1H2NR1H3

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 HDAC1 210/4885ABHD6 2780/4885DAGLA 4388/4885

“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.