SCHEMBL3496171

SCHEMBL3496171

NS(=O)(=O)NC(=O)c1ccc(C[C@@H]2CN(Cc3ccccc3)CCN2C(=O)c2ncn(-c3cccc(N4CCOCC4)c3)c2-c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 10/20 0.46
CA2 P00918 10/20 0.46
CA4 P22748 10/20 0.46
CA9 Q16790 10/20 0.46
HDAC1 Q13547 4/20 0.40
KDM1A O60341 1/20 0.39
ALDH1A1 P00352 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
AURKA O14965 1/20 0.36
KDR P35968 1/20 0.36
FLT3 P36888 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PIK3CD O00329 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
SCHEMBL13341007 0.94 CA1 (0.42) CA1CA2CA4CA9HDAC1
SCHEMBL5134025 0.90 CA1 (0.44) CA1CA2CA4CA9HDAC1
SCHEMBL3494697 0.90 CA1 (0.44) CA1CA2CA4CA9HDAC1
SCHEMBL3495801 0.86 JMJD6 (0.41) CA1CA2CA4CA9ALDH1A1
SCHEMBL3493296 0.85 CA1 (0.39) CA1CA2CA4CA9SMN1; SMN2
SCHEMBL5133998 0.85 CA1 (0.39) CA1CA2CA4CA9SMN1; SMN2
SCHEMBL3494623 0.83 CA1 (0.37) CA1CA2CA4CA9HDAC1
SCHEMBL3495798 0.82 CA1 (0.36) CA1CA2CA4CA9SMN1; SMN2
SCHEMBL3492925 0.81 SLC16A3 (0.39) FLT3SMN1; SMN2
SCHEMBL3495525 0.80 SLC16A3 (0.35) CA1CA2CA4CA9SMN1; SMN2

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 3 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
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

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.