SCHEMBL3494697

SCHEMBL3494697

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.44
CA2 P00918 4/20 0.44
CA4 P22748 4/20 0.44
CA9 Q16790 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 1/20 0.38
HDAC1 Q13547 2/20 0.38
KMO O15229 1/20 0.38
KIF11 P52732 3/20 0.37
ROCK1 Q13464 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
CYP3A4 P08684 1/20 0.36
DAGLB Q8NCG7 1/20 0.36
ALKBH1 Q13686 1/20 0.36
ATM Q13315 1/20 0.35
DPP4 P27487 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
KDM1A O60341 1/20 0.35
ADRA2A P08913 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
SCHEMBL5134025 1.00 CA1 (0.44) CA1CA2CA4CA9SMN1; SMN2
SCHEMBL3495801 0.91 JMJD6 (0.41) CA1CA2CA4CA9SMN1; SMN2
SCHEMBL3493296 0.91 CA1 (0.39) CA1CA2CA4CA9SMN1; SMN2
SCHEMBL5133998 0.91 CA1 (0.39) CA1CA2CA4CA9SMN1; SMN2
SCHEMBL3496171 0.90 CA1 (0.46) CA1CA2CA4CA9SMN1; SMN2
SCHEMBL13341007 0.90 CA1 (0.42) CA1CA2CA4CA9SMN1; SMN2
SCHEMBL3495798 0.89 CA1 (0.36) CA1CA2CA4CA9SMN1; SMN2
SCHEMBL3494623 0.88 CA1 (0.37) CA1CA2CA4CA9SMN1; SMN2
SCHEMBL3492925 0.86 SLC16A3 (0.39) SMN1; SMN2KIF11ALKBH1ADRA2AADRA2B
SCHEMBL3494487 0.85 CA1 (0.42) CA1CA2CA4CA9HDAC1

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 5 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
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.