SCHEMBL3493465

SCHEMBL3493465

CCOC(=O)c1[nH]c(=O)n(-c2ccccc2[N+](=O)[O-])c1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
GAA P10253 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ADORA3 P0DMS8 1/20 0.42
SLC5A1 P13866 1/20 0.42
SLC5A2 P31639 1/20 0.42
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 2/20 0.40
AR P10275 2/20 0.40
CYP2C9 P11712 1/20 0.40
CACNA1C Q13936 2/20 0.40
CACNA1D Q01668 2/20 0.40
CACNA1F O60840 1/20 0.40
CACNA1S Q13698 1/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39

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
SCHEMBL3493089 0.84 ALDH1A1 (0.45) ALDH1A1GAASMN1; SMN2CYP1A2CYP3A4
SCHEMBL3494243 0.81 ALDH1A1 (0.47) ALDH1A1GAASMN1; SMN2CYP1A2CYP2C19
SCHEMBL8238381 0.81 PDE4A (0.40) ALDH1A1GAASMN1; SMN2CYP1A2CYP3A4
SCHEMBL885461 0.81 MAT2A (0.53) ALDH1A1GAASMN1; SMN2CYP1A2CYP3A4
SCHEMBL885791 0.77 LMNA (0.43) ALDH1A1GAASMN1; SMN2ADORA3CYP1A2
SCHEMBL885801 0.76 MAPT (0.40) ALDH1A1GAASMN1; SMN2ADORA3CYP1A2
SCHEMBL3494105 0.76 ALDH1A1 (0.48) ALDH1A1GAASMN1; SMN2ADORA3SLC5A1
SCHEMBL3492284 0.75 SLC5A1 (0.47) ALDH1A1GAASMN1; SMN2SLC5A1SLC5A2
SCHEMBL7169442 0.74 MAPT (0.57) ALDH1A1GAASMN1; SMN2MEN1POLB
SCHEMBL885925 0.73 GABRA2 (0.50) ALDH1A1GAASMN1; SMN2CYP1A2CYP2C19

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 4 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

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 ALDH1A1 1062/4885GAA 4262/4885SMN1; SMN2 4730/4885

“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.