SCHEMBL3495293

SCHEMBL3495293

c1ccc(COCCC2CNCCN2)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.51
TSHR P16473 1/20 0.41
REN P00797 5/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
TACR1 P25103 1/20 0.39
LMNA P02545 1/20 0.38
MAOB P27338 1/20 0.37
POLB P06746 1/20 0.37
PDE4D Q08499 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
HRH3 Q9Y5N1 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
SCHEMBL9548162 0.86 LTA4H (0.39) LTA4HTSHRRENBCHEACHE
SCHEMBL6299585 0.84 LTA4H (0.61) LTA4HTSHRBCHEACHETACR1
SCHEMBL17070 0.84 LTA4H (0.61) LTA4HTSHRBCHEACHETACR1
SCHEMBL17069 0.84 LTA4H (0.61) LTA4HTSHRBCHEACHETACR1
Hydrochloric Acid SCHEMBL16259 0.83 LTA4H (0.59) LTA4HTSHRBCHEACHETACR1
Hydrochloric Acid SCHEMBL16258 0.83 LTA4H (0.59) LTA4HTSHRBCHEACHETACR1
SCHEMBL3817645 0.79 LTA4H (0.54) LTA4HPOLB
SCHEMBL5556878 0.79 LTA4H (0.54) LTA4HPOLB
SCHEMBL6609328 0.79 POLB (0.59) LTA4HPOLB
SCHEMBL4975539 0.78 LTA4H (0.57) LTA4HMAOBSLC6A4HRH3

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 LTA4H 2125/4885TSHR 684/4885REN 1/4885

“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.