SCHEMBL12633869

SCHEMBL12633869

CC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.53
LTB4R2 Q9NPC1 4/20 0.53
ABCC3 O15438 1/20 0.53
ABCC4 O15439 1/20 0.53
ABCB11 O95342 1/20 0.53
LMNA P02545 1/20 0.53
CYP3A4 P08684 1/20 0.53
GAA P10253 1/20 0.53
EDNRA P25101 1/20 0.53
MAPK1 P28482 1/20 0.53
HTR2B P41595 1/20 0.53
AGTR2 P50052 1/20 0.53
PDE3A Q14432 1/20 0.53
SLC10A1 Q14973 1/20 0.53
ACHE P22303 1/20 0.47

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
SCHEMBL683504 0.87 AGTR1 (0.50) AGTR1LTB4R2ABCC3ABCC4ABCB11
SCHEMBL683434 0.87 AGTR1 (0.66) AGTR1LTB4R2ABCC3ABCC4ABCB11
SCHEMBL684154 0.86 AGTR1 (0.51) AGTR1LTB4R2ABCC3ABCC4ABCB11
Irbesartan SCHEMBL4246 0.85 AGTR1 (0.74) AGTR1LTB4R2ABCC3ABCC4ABCB11
SCHEMBL683867 0.85 AGTR1 (0.51) AGTR1LTB4R2ABCC3ABCC4ABCB11
SCHEMBL8231666 0.85 AGTR1 (0.51) AGTR1LTB4R2ABCC3ABCC4ABCB11
Irbesartan SCHEMBL2212239 0.85 AGTR1 (0.74) AGTR1LTB4R2ABCC3ABCC4ABCB11
SCHEMBL8246749 0.85 AGTR1 (0.70) AGTR1LTB4R2ABCC3ABCC4ABCB11
Irbesartan SCHEMBL4726034 0.85 AGTR1 (0.73) AGTR1LTB4R2ABCC3ABCC4ABCB11
Irbesartan SCHEMBL2208976 0.85 AGTR1 (0.73) AGTR1LTB4R2ABCC3ABCC4ABCB11

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7947842-B2 Preparing aqueous sodium irbesartan and displacing the sodium with magnesium or calcium ions; solvent-free; easily sterilized aqueous solutions; controlled crystallization, easy filtration and drying; nonelectrostatic behavior and ready tabletting SANOFI-AVENTIS (FR) 2011-05-24 US disclosed
US-20080096944-A1 HYDRATES OF ALKALINE-EARTH SALTS OF IRBESARTAN AND THE PREPARATION THEREOF SANOFI-AVENTIS (FR) 2008-04-24 US 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-20080096944-A1 HYDRATES OF ALKALINE-EARTH SALTS OF IRBESARTAN AND THE PREPARATION THEREOF REN, AGTR1, AGT AGTR1 2/4885LTB4R2 4325/4885ABCC3 751/4885

“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.