SCHEMBL13340919

SCHEMBL13340919

CC(C)C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)c1ncn(C2Cc3ccccc3C2)c1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
CA4 P22748 4/20 0.38
CA9 Q16790 4/20 0.38
AGTR2 P50052 1/20 0.36
MGLL Q99685 1/20 0.35
MAPK1 P28482 1/20 0.34
DPP4 P27487 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
ROCK1 Q13464 1/20 0.34
SIGMAR1 Q99720 2/20 0.34
ADRA2C P18825 1/20 0.34
ADRA1D P25100 1/20 0.34
HRH1 P35367 1/20 0.34
SLC6A3 Q01959 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
LMNA P02545 1/20 0.34
EGFR P00533 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
SCHEMBL3495449 0.88 AGTR2 (0.40) DRD2DRD4CA1CA2CA4
SCHEMBL3495602 0.87 CYP11B2 (0.34) CA1CA2CA4CA9SIGMAR1
SCHEMBL3493081 0.86 CA1 (0.49) CA1CA2CA4CA9MGLL
SCHEMBL3495719 0.86 NR1D1 (0.39) CA1CA2CA4CA9AGTR2
SCHEMBL4284825 0.85 CA1 (0.37) CA1CA2CA4CA9AGTR2
SCHEMBL13705146 0.85 CA1 (0.37) CA1CA2CA4CA9AGTR2
SCHEMBL4284827 0.85 CA1 (0.37) CA1CA2CA4CA9AGTR2
SCHEMBL4284830 0.85 CA1 (0.37) CA1CA2CA4CA9AGTR2
SCHEMBL3494483 0.84 CA1 (0.42) DRD2DRD4CA1CA2CA4
SCHEMBL3495673 0.82 CA1 (0.44) CA1CA2CA4CA9MAPK1

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 1 patent. 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

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 DRD2 596/4885DRD4 853/4885CA1 2606/4885

“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.