SCHEMBL3493553

SCHEMBL3493553

Cc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2COc2ccc(C(=O)O)cc2)c(-c2ccccc2)n1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KAT7 O95251 2/20 0.38
ABHD6 Q9BV23 1/20 0.38
DAGLA Q9Y4D2 1/20 0.38
USP30 Q70CQ3 2/20 0.38
ROCK2 O75116 1/20 0.37
MMP12 P39900 1/20 0.36
ADAM17 P78536 4/20 0.36
CHEK2 O96017 1/20 0.36
SETD7 Q8WTS6 1/20 0.35
GPR119 Q8TDV5 2/20 0.35
PARP1 P09874 1/20 0.35
KAT8 Q9H7Z6 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
SCHEMBL13340346 0.94 CHEK2 (0.41) KAT7ABHD6DAGLAUSP30ROCK2
SCHEMBL3494783 0.94 LMNA (0.41) KAT7ABHD6DAGLAUSP30ROCK2
SCHEMBL3492179 0.92 USP30 (0.40) KAT7ABHD6DAGLAUSP30ROCK2
SCHEMBL3491920 0.91 ABHD6 (0.38) KAT7ABHD6DAGLAADAM17GPR119
SCHEMBL3492817 0.90 ABHD6 (0.38) KAT7ABHD6DAGLAADAM17
SCHEMBL13340161 0.89 KAT7 (0.38) KAT7ABHD6DAGLAUSP30ROCK2
SCHEMBL3493592 0.88 KAT7 (0.37) KAT7ABHD6DAGLAUSP30ADAM17
SCHEMBL3493772 0.88 USP30 (0.38) KAT7ABHD6DAGLAUSP30ROCK2
SCHEMBL8236038 0.86 KAT7 (0.40) KAT7ABHD6DAGLAUSP30ROCK2
SCHEMBL3491499 0.85 KAT7 (0.40) KAT7ABHD6DAGLAUSP30ROCK2

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 KAT7 1058/4885ABHD6 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.