SCHEMBL13340403

SCHEMBL13340403

CCCNc1ccccc1-n1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2Cc2ccccc2)c1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABHD6 Q9BV23 1/20 0.43
DAGLA Q9Y4D2 1/20 0.43
HDAC1 Q13547 1/20 0.40
NR1H2 P55055 2/20 0.38
NR1H3 Q13133 2/20 0.38
PARP1 P09874 1/20 0.38
CA1 P00915 10/20 0.37
CA2 P00918 10/20 0.37
CA4 P22748 10/20 0.37
CA9 Q16790 10/20 0.37
DPP4 P27487 1/20 0.37
USP30 Q70CQ3 2/20 0.37
BRD4 O60885 1/20 0.37
GPR119 Q8TDV5 1/20 0.36

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
SCHEMBL13340400 0.96 ABHD6 (0.42) ABHD6DAGLAHDAC1NR1H2NR1H3
SCHEMBL13340393 0.95 ABHD6 (0.41) ABHD6DAGLAHDAC1NR1H2NR1H3
SCHEMBL13340414 0.91 ABHD6 (0.41) ABHD6DAGLAHDAC1NR1H2NR1H3
SCHEMBL8231116 0.91 TSHR (0.43) ABHD6DAGLAHDAC1NR1H2NR1H3
SCHEMBL3492450 0.90 CA1 (0.41) CA1CA2CA4CA9
SCHEMBL13340197 0.88 HDAC1 (0.41) ABHD6DAGLAHDAC1NR1H2NR1H3
SCHEMBL8237483 0.88 TSHR (0.42) ABHD6DAGLAHDAC1NR1H2NR1H3
SCHEMBL8236058 0.87 HDAC1 (0.44) ABHD6DAGLAHDAC1NR1H2NR1H3
SCHEMBL3496456 0.87 ABHD6 (0.46) ABHD6DAGLAHDAC1NR1H2NR1H3
SCHEMBL13340412 0.86 HDAC1 (0.40) ABHD6DAGLAHDAC1NR1H2NR1H3

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
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 4388/4885HDAC1 210/4885

“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.