SCHEMBL3492284

SCHEMBL3492284

CCOC(=O)c1nc(OC)n(-c2ccccc2[N+](=O)[O-])c1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 1/20 0.47
SLC5A2 P31639 1/20 0.47
ALDH1A1 P00352 8/20 0.46
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
GAA P10253 3/20 0.42
MAPT P10636 3/20 0.42
MAPK1 P28482 2/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
LMNA P02545 1/20 0.42
CYP19A1 P11511 1/20 0.42
NPSR1 Q6W5P4 2/20 0.42
KCNMA1 Q12791 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
CYP1A2 P05177 2/20 0.41
NTSR1 P30989 1/20 0.41

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
SCHEMBL3493378 0.87 ALDH1A1 (0.43) ALDH1A1GAAMAPTPOLBLMNA
SCHEMBL3492457 0.85 ALDH1A1 (0.47) ALDH1A1GAAMAPTMAPK1POLB
SCHEMBL3491954 0.81 ALDH1A1 (0.53) ALDH1A1GAAMAPTMAPK1POLB
SCHEMBL8238120 0.81 ALDH1A1 (0.44) ALDH1A1GAAMAPTMAPK1POLB
SCHEMBL3493632 0.78 ALDH1A1 (0.46) ALDH1A1GAAMAPTMAPK1POLB
SCHEMBL3494105 0.76 ALDH1A1 (0.48) SLC5A1SLC5A2ALDH1A1PTGS1PTGS2
SCHEMBL3493465 0.75 ALDH1A1 (0.45) SLC5A1SLC5A2ALDH1A1GAAMAPT
SCHEMBL25261894 0.73 MAPT (0.51) ALDH1A1PTGS2GAAMAPTMAPK1
SCHEMBL7169442 0.72 MAPT (0.57) ALDH1A1GAAMAPTMAPK1POLB
SCHEMBL3491977 0.72 ALDH1A1 (0.53) ALDH1A1GAAMAPTHPGDCYP19A1

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 SLC5A1 1138/4885SLC5A2 1557/4885ALDH1A1 1062/4885

“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.