SCHEMBL3495015

SCHEMBL3495015

CCOc1nc(C(=O)N2CCN(C(=O)O)C[C@H]2Cc2ccccc2)c(-c2ccccc2)n1-c1cccc(S(C)(=O)=O)c1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 3/20 0.48
NR1H3 Q13133 2/20 0.48
CA1 P00915 17/20 0.40
CA2 P00918 17/20 0.40
CA4 P22748 17/20 0.40
CA9 Q16790 17/20 0.40

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
SCHEMBL8229917 0.92 NR1H2 (0.57) NR1H2NR1H3CA1CA2CA4
SCHEMBL3493459 0.87 CA1 (0.45) NR1H2NR1H3CA1CA2CA4
SCHEMBL3493409 0.86 CCKAR (0.37) NR1H2NR1H3CA1CA2CA4
SCHEMBL3494568 0.84 KMT2A (0.35) CA1CA2CA4CA9
SCHEMBL13340982 0.78 NR1H2 (0.44) NR1H2NR1H3
SCHEMBL3495634 0.78 ALDH1A1 (0.34)
SCHEMBL3493284 0.77 TP53 (0.34)
SCHEMBL3494671 0.76 PTGS2 (0.44) NR1H2NR1H3CA1CA2
SCHEMBL13341024 0.76 NR1H2 (0.38) NR1H2NR1H3
SCHEMBL3496206 0.76 CA1 (0.43) CA1CA2CA4CA9

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 NR1H2 339/4885NR1H3 293/4885CA1 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.