SCHEMBL3495202

SCHEMBL3495202

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.57
CA9 Q16790 3/20 0.57
CA1 P00915 2/20 0.57
CA4 P22748 2/20 0.57
DPP4 P27487 1/20 0.53
DPP7 Q9UHL4 1/20 0.53
ROCK1 Q13464 1/20 0.49
ACHE P22303 2/20 0.49
BACE1 P56817 2/20 0.49
BCHE P06276 1/20 0.49
SIGMAR1 Q99720 1/20 0.48
DRD4 P21917 2/20 0.48
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47
AGTR2 P50052 1/20 0.47
GRIN2B Q13224 2/20 0.47
CA12 O43570 1/20 0.47
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
ADRA1D P25100 1/20 0.45

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
SCHEMBL3494525 0.93 CA1 (0.63) CA2CA9CA1CA4DPP4
SCHEMBL13225693 0.90 CA2 (0.55) CA2CA9CA1CA4DPP4
SCHEMBL4287508 0.89 CA1 (0.56) CA2CA9CA1CA4DPP4
SCHEMBL3492288 0.86 CA1 (0.54) CA2CA9CA1CA4DPP4
SCHEMBL3506136 0.84 NR1H2 (0.54) CA2CA9CA1CA4DPP4
SCHEMBL3495123 0.84 NR1H2 (0.54) CA2CA9CA1CA4DPP4
SCHEMBL4292794 0.84 CA1 (0.54) CA2CA9CA1CA4DPP4
SCHEMBL4281708 0.83 CA1 (0.52) CA2CA9CA1CA4DPP4
SCHEMBL5539410 0.83 CA1 (0.61) CA2CA9CA1CA4DPP4
SCHEMBL5539406 0.83 CA1 (0.61) CA2CA9CA1CA4DPP4

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 CA2 1023/4885CA9 572/4885CA1 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.