SCHEMBL8246734

SCHEMBL8246734

CCCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.94

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.94
AGTR1 P30556 3/20 0.67
LTB4R2 Q9NPC1 3/20 0.67
ABCC3 O15438 1/20 0.64
ABCC4 O15439 1/20 0.64
ABCB11 O95342 1/20 0.64
LMNA P02545 1/20 0.64
CYP3A4 P08684 1/20 0.64
GAA P10253 1/20 0.64
EDNRA P25101 1/20 0.64
MAPK1 P28482 1/20 0.64
HTR2B P41595 1/20 0.64
AGTR2 P50052 1/20 0.64
PDE3A Q14432 1/20 0.64
SLC10A1 Q14973 1/20 0.64

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
SCHEMBL1316335 0.97 ACHE (1.00) ACHEAGTR1LTB4R2ABCC3ABCC4
SCHEMBL29598156 0.97 ACHE (1.00) ACHEAGTR1LTB4R2ABCC3ABCC4
SCHEMBL38655977 0.93 ACHE (0.89) ACHEAGTR1LTB4R2ABCC3ABCC4
SCHEMBL21083730 0.88 ACHE (0.82) ACHEAGTR1LTB4R2ABCC3ABCC4
SCHEMBL6533118 0.86 ACHE (0.80) ACHEAGTR1LTB4R2ABCC3ABCC4
SCHEMBL21083538 0.85 ACHE (0.79) ACHEAGTR1LTB4R2ABCC3ABCC4
SCHEMBL21083862 0.85 ACHE (0.77) ACHEAGTR1LTB4R2ABCC3ABCC4
SCHEMBL13539765 0.85 ACHE (0.77) ACHEAGTR1LTB4R2ABCC3ABCC4
SCHEMBL21083894 0.84 ACHE (0.76) ACHEAGTR1LTB4R2ABCC3ABCC4
SCHEMBL21083812 0.84 ACHE (0.76) ACHEAGTR1LTB4R2ABCC3ABCC4

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-7964737-B2 Angiotensin II receptor antagonist; industrially viable, recoverable and reusable; Irbesartan JUBILANT ORGANOSYS LIMITED (IN) 2011-06-21 US disclosed
US-7964737-B2 Angiotensin II receptor antagonist; industrially viable, recoverable and reusable; Irbesartan JUBILANT ORGANOSYS LIMITED (IN) 2011-06-21 US disclosed
US-20080214830-A1 Process for Producing 2-(N-Butyl)-3-[[2'-(Tetrazol-5-Yl)Biphenyl-4-Yl]Methyl]-I,3-Diazaspiro[4,4] Non-1-En-4-One JUBILANT ORGANOSYS LIMITED (IN) 2008-09-04 US disclosed
US-20080214830-A1 Process for Producing 2-(N-Butyl)-3-[[2'-(Tetrazol-5-Yl)Biphenyl-4-Yl]Methyl]-I,3-Diazaspiro[4,4] Non-1-En-4-One JUBILANT ORGANOSYS LIMITED (IN) 2008-09-04 US disclosed
WO-2007013101-A1 PROCESS FOR PRODUCING 2-(N-BUTYL)-3-[[2'-(TETRAZOL-5-YL)BIPHENYL- 4-YL]METHYL]-l,3-DIAZASPIRO[4.4] NON-1-EN-4-ONE JUBILANT ORGANOSYS LIMITED (IN) 2007-02-01 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-20080214830-A1 Process for Producing 2-(N-Butyl)-3-[[2'-(Tetrazol-5-Yl)Biphenyl-4-Yl]Methyl]-I,3-Diazaspiro[4,4] Non-1-En-4-One CYP4B1, NONO, ENO1 ACHE 1430/4885AGTR1 2594/4885LTB4R2 2243/4885

“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.