SCHEMBL3494671

SCHEMBL3494671

CCOC(=O)c1nc(OCC)n(-c2cccc(S(C)(=O)=O)c2)c1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.44
NR1H2 P55055 4/20 0.44
ALDH1A1 P00352 3/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
GABRA2 P47869 2/20 0.43
GABRB2 P47870 2/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
ALOX15 P16050 1/20 0.42
NR1H3 Q13133 2/20 0.42
CYP19A1 P11511 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
SCHEMBL3491977 0.86 ALDH1A1 (0.53) ALDH1A1CYP3A4CYP2C9CYP2C19NPSR1
SCHEMBL8239214 0.80 ALDH1A1 (0.53) ALDH1A1ALOX15
SCHEMBL7169715 0.79 ALDH1A1 (0.48) PTGS2NR1H2ALDH1A1
SCHEMBL3491954 0.78 ALDH1A1 (0.53) ALDH1A1CYP3A4CYP2C9CYP2C19NPSR1
SCHEMBL3492563 0.77 MAT2A (0.44) PTGS2NR1H2ALDH1A1ALOX15
SCHEMBL3495015 0.76 NR1H2 (0.48) NR1H2CA1CA2NR1H3
SCHEMBL3493459 0.76 CA1 (0.45) NR1H2CYP3A4CA1CA2NR1H3
SCHEMBL3495135 0.76 MAT2A (0.49) ALDH1A1CYP3A4CYP2C9CYP2C19GABRA2
SCHEMBL3493632 0.74 ALDH1A1 (0.46) ALDH1A1CYP3A4CYP2C9CYP2C19NPSR1
SCHEMBL3013759 0.74 LMNA (0.63) ALDH1A1

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 PTGS2 865/4885NR1H2 339/4885ALDH1A1 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.