SCHEMBL3493459

SCHEMBL3493459

CCOc1nc(C(=O)N2CCNC[C@H]2Cc2ccccc2)c(-c2ccccc2)n1-c1cccc(S(C)(=O)=O)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.45
CA2 P00918 4/20 0.45
CA4 P22748 4/20 0.45
CA9 Q16790 4/20 0.45
NR1H2 P55055 4/20 0.44
NR1H3 Q13133 4/20 0.44
REN P00797 2/20 0.43
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
CYP3A4 P08684 1/20 0.39
SLC6A2 P23975 3/20 0.36
SLC6A4 P31645 3/20 0.36
SLC6A3 Q01959 3/20 0.36
DPP4 P27487 3/20 0.35
DPP7 Q9UHL4 2/20 0.35
CPT2 P23786 1/20 0.35
CPT1A P50416 1/20 0.35
DRD2 P14416 1/20 0.35
CHRM3 P20309 1/20 0.34

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
SCHEMBL3495015 0.87 NR1H2 (0.48) CA1CA2CA4CA9NR1H2
SCHEMBL8229917 0.83 NR1H2 (0.57) CA1CA2CA4CA9NR1H2
SCHEMBL3493980 0.82 REN (0.51) CA1CA2CA4CA9REN
SCHEMBL885602 0.81 CA1 (0.49) CA1CA2CA4CA9NR1H2
SCHEMBL885601 0.81 CA1 (0.49) CA1CA2CA4CA9NR1H2
SCHEMBL8230168 0.81 REN (0.42) CA1CA2CA4CA9REN
SCHEMBL4283419 0.80 CA1 (0.44) CA1CA2CA4CA9REN
SCHEMBL3494671 0.76 PTGS2 (0.44) CA1CA2NR1H2NR1H3CYP3A4
SCHEMBL13341793 0.74 REN (0.34) CA1CA2CA4CA9REN
SCHEMBL13341794 0.73 REN (0.35) CA1CA2CA4CA9REN

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.