SCHEMBL3493296

SCHEMBL3493296

N#Cc1ccc(C[C@@H]2CN(Cc3ccccc3)CCN2C(=O)c2ncn(-c3cccc(N4CCOCC4)c3)c2-c2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA4 P22748 2/20 0.39
CA9 Q16790 2/20 0.39
PRKAA2 P54646 1/20 0.39
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
EP300 Q09472 1/20 0.36
KIF11 P52732 2/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM4 P08173 5/20 0.35
ROCK1 Q13464 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL5133998 1.00 CA1 (0.39) CA1CA2CA4CA9PRKAA2
SCHEMBL5134025 0.91 CA1 (0.44) CA1CA2CA4CA9HCRTR1
SCHEMBL3494697 0.91 CA1 (0.44) CA1CA2CA4CA9HCRTR1
SCHEMBL3494453 0.90 HCRTR1 (0.37) CA1CA2CA4CA9HCRTR1
SCHEMBL3495801 0.86 JMJD6 (0.41) CA1CA2CA4CA9SMN1; SMN2
SCHEMBL3494623 0.86 CA1 (0.37) CA1CA2CA4CA9KIF11
SCHEMBL3492925 0.86 SLC16A3 (0.39) KIF11SMN1; SMN2
SCHEMBL3495798 0.86 CA1 (0.36) CA1CA2CA4CA9HCRTR1
SCHEMBL13341007 0.85 CA1 (0.42) CA1CA2CA4CA9SMN1; SMN2
SCHEMBL3496171 0.85 CA1 (0.46) CA1CA2CA4CA9SMN1; SMN2

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
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 1023/4885CA4 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.