SCHEMBL3493137

SCHEMBL3493137

O=C(O)N(CCn1cnc(C(=O)N2CCN(Cc3ccccc3)C[C@H]2Cc2ccccc2)c1-c1ccccc1)C1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 17)

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
DAGLB Q8NCG7 1/20 0.36
GAA P10253 1/20 0.35
OPRM1 P35372 3/20 0.34
SCD5 Q86SK9 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM3 P20309 1/20 0.34
CHRM4 P08173 1/20 0.33
MGLL Q99685 1/20 0.33
PTGS2 P35354 1/20 0.33
ERAP2 Q6P179 1/20 0.32

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
SCHEMBL13340898 0.90 CA1 (0.38) CA1CA2CA4CA9ROCK1
SCHEMBL3493041 0.88 CA1 (0.36) CA1CA2CA4CA9ROCK1
SCHEMBL3496182 0.87 CA1 (0.36) CA1CA2CA4CA9ROCK1
SCHEMBL3495672 0.87 ROCK1 (0.36) CA1CA2CA4CA9ROCK1
SCHEMBL3491371 0.86 CA1 (0.43) CA1CA2CA4CA9ROCK1
SCHEMBL4985144 0.80 CA1 (0.51) CA1CA2CA4CA9ROCK1
SCHEMBL4289524 0.79 CA1 (0.43) CA1CA2CA4CA9ROCK1
SCHEMBL3493203 0.76 CA1 (0.45) CA1CA2CA4CA9ROCK1
SCHEMBL3491584 0.75 CA1 (0.44) CA1CA2CA4CA9ROCK1
SCHEMBL4296440 0.74 CA1 (0.40) 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 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 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.