SCHEMBL3494483

SCHEMBL3494483

CC(C)(O)c1ccc(C[C@@H]2CN(Cc3ccccc3)CCN2C(=O)c2ncn(C3Cc4ccccc4C3)c2-c2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.42
CA2 P00918 4/20 0.42
CA4 P22748 4/20 0.42
CA9 Q16790 4/20 0.42
ROCK1 Q13464 1/20 0.38
DPP4 P27487 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
MGLL Q99685 1/20 0.34
HCRTR2 O43614 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ABCB1 P08183 1/20 0.34
LMNA P02545 1/20 0.34
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
KCNH2 Q12809 1/20 0.33
RORC P51449 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL3493081 0.90 CA1 (0.49) CA1CA2CA4CA9ROCK1
SCHEMBL3495673 0.86 CA1 (0.44) CA1CA2CA4CA9ROCK1
SCHEMBL13340919 0.84 DRD2 (0.39) CA1CA2CA4CA9ROCK1
SCHEMBL3495719 0.82 NR1D1 (0.39) CA1CA2CA4CA9
SCHEMBL3495449 0.81 AGTR2 (0.40) CA1CA2CA4CA9ROCK1
SCHEMBL8230155 0.79 ABHD6 (0.45) CA1CA2CA4CA9DPP4
SCHEMBL8235741 0.79 ABHD6 (0.45) CA1CA2CA4CA9DPP4
SCHEMBL13340905 0.79 ABHD6 (0.45) CA1CA2CA4CA9DPP4
SCHEMBL8235939 0.79 ABHD6 (0.46) DPP4ALDH1A1
SCHEMBL3491960 0.78 CA1 (0.42) CA1CA2CA4CA9ROCK1

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 6 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
EP-1984355-A2 CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION Takeda Pharmaceutical Company Limited (JP) 2008-10-29 EP 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
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 CA1 2606/4885CA2 1023/4885CA4 1470/4885

“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.