SCHEMBL3493592

SCHEMBL3493592

COC(=O)CCc1ccc(OCC2CN(C(=O)OC(C)(C)C)CCN2C(=O)c2cc(C)n(-c3ccccc3)c2-c2ccccc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KAT7 O95251 2/20 0.37
YAP1 P46937 3/20 0.36
ABHD6 Q9BV23 1/20 0.36
DAGLA Q9Y4D2 1/20 0.36
ADAM17 P78536 3/20 0.35
PRMT5 O14744 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
KAT8 Q9H7Z6 1/20 0.34
SLC2A1 P11166 1/20 0.33
USP30 Q70CQ3 1/20 0.33
PPARG P37231 1/20 0.33
HDAC1 Q13547 1/20 0.33

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
SCHEMBL3492817 0.94 ABHD6 (0.38) KAT7YAP1ABHD6DAGLAADAM17
SCHEMBL13340161 0.93 KAT7 (0.38) KAT7YAP1ABHD6DAGLAADAM17
SCHEMBL4985477 0.91 CNR1 (0.35) YAP1LMNATP53PPARG
SCHEMBL3494783 0.89 LMNA (0.41) KAT7ABHD6DAGLAADAM17LMNA
SCHEMBL3491920 0.89 ABHD6 (0.38) KAT7YAP1ABHD6DAGLAADAM17
SCHEMBL3493553 0.88 KAT7 (0.38) KAT7ABHD6DAGLAADAM17KAT8
SCHEMBL13340346 0.86 CHEK2 (0.41) KAT7ABHD6DAGLAADAM17USP30
SCHEMBL13341002 0.85 KAT7 (0.40) KAT7ABHD6DAGLAKAT8USP30
SCHEMBL3493772 0.84 USP30 (0.38) KAT7ABHD6DAGLALMNATP53
SCHEMBL3494719 0.83 ABHD6 (0.44) KAT7YAP1ABHD6DAGLAADAM17

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 1058/4885YAP1 500/4885ABHD6 2780/4885

“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.