SCHEMBL3494155

SCHEMBL3494155

O=C(O)N1CCN(Cc2ccccc2)C[C@H]1Cc1ccc(OS(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.54
CA2 P00918 5/20 0.54
CA9 Q16790 5/20 0.54
CA4 P22748 4/20 0.54
DPP4 P27487 1/20 0.48
DPP7 Q9UHL4 1/20 0.48
SIGMAR1 Q99720 1/20 0.44
ROCK1 Q13464 1/20 0.43
LMNA P02545 1/20 0.43
CA12 O43570 1/20 0.41
NR1H2 P55055 2/20 0.40
NR1H3 Q13133 2/20 0.40
AGTR2 P50052 1/20 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
SCHEMBL3493657 0.88 NR1H2 (0.55) CA1CA2CA9CA4DPP4
SCHEMBL3505059 0.88 NR1H2 (0.55) CA1CA2CA9CA4DPP4
SCHEMBL3494525 0.84 CA1 (0.63) CA1CA2CA9CA4DPP4
SCHEMBL3493458 0.84 CA1 (0.43) CA1CA2CA9CA4NR1H2
SCHEMBL3495202 0.81 CA2 (0.57) CA1CA2CA9CA4DPP4
SCHEMBL3493659 0.80 NR1H2 (0.40) CA1CA2CA9CA4NR1H2
SCHEMBL3492491 0.80 CA1 (0.46) CA1CA2CA9CA4DPP4
SCHEMBL13340174 0.80 CA1 (0.46) CA1CA2CA9CA4DPP4
SCHEMBL4287508 0.80 CA1 (0.56) CA1CA2CA9CA4DPP4
SCHEMBL3492288 0.78 CA1 (0.54) CA1CA2CA9CA4DPP4

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 1023/4885CA9 572/4885

“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.