SCHEMBL3495217

SCHEMBL3495217

O=C(O)N1CCNC(CCOCc2ccccc2)C1

nearest known ligand 0.44

Predicted protein targets (top 17)

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
AGTR2 P50052 1/20 0.42
TEAD3 Q99594 2/20 0.41
GRM5 P41594 2/20 0.40
CYP2C19 P33261 1/20 0.39
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
REN P00797 1/20 0.37
LIPG Q9Y5X9 1/20 0.37
LTA4H P09960 1/20 0.36

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
SCHEMBL12078487 0.87 CA1 (0.46) CA1CA2CA4CA9AGTR2
SCHEMBL20140852 0.87 CA1 (0.46) CA1CA2CA4CA9AGTR2
SCHEMBL8235884 0.85 JAK2 (0.45) CA1CA2CA4CA9MEN1
SCHEMBL3493396 0.82 TEAD1 (0.46) CA1CA2CA4CA9TEAD3
Hydrochloric Acid SCHEMBL4293711 0.81 PARP1 (0.45) CA1CA2CA4CA9TEAD3
Hydrochloric Acid SCHEMBL4293709 0.81 PARP1 (0.45) CA1CA2CA4CA9TEAD3
SCHEMBL3495230 0.80 CA1 (0.62) CA1CA2CA4CA9MEN1
SCHEMBL5719329 0.80 CA1 (0.62) CA1CA2CA4CA9MEN1
SCHEMBL4749948 0.80 CA1 (0.62) CA1CA2CA4CA9MEN1
SCHEMBL4290785 0.79 PARP1 (0.45) CA1CA2CA4CA9TEAD3

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 1023/4885CA4 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.