SCHEMBL535752

SCHEMBL535752

CCCCC1=NC2(CCCC2)C(=O)N1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.39
AGTR1 P30556 3/20 0.33
LTB4R2 Q9NPC1 3/20 0.33
ABCC3 O15438 1/20 0.33
ABCC4 O15439 1/20 0.33
ABCB11 O95342 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
GAA P10253 1/20 0.33
EDNRA P25101 1/20 0.33
MAPK1 P28482 1/20 0.33
HTR2B P41595 1/20 0.33
AGTR2 P50052 1/20 0.33
PDE3A Q14432 1/20 0.33
SLC10A1 Q14973 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL9263485 0.98 ACHE (0.39) ACHEAGTR1LTB4R2ABCC3ABCC4
Hydrochloric Acid SCHEMBL535435 0.98 ACHE (0.39) ACHEAGTR1LTB4R2ABCC3ABCC4
SCHEMBL9409027 0.93 ACHE (0.33) ACHETDP1ALDH1A1
Hydrochloric Acid SCHEMBL9266364 0.91 ACHE (0.32) ACHEALDH1A1
SCHEMBL4775940 0.89 ACHE (0.33) ACHE
SCHEMBL21083856 0.85 KMT2A (0.32) KMT2A
Hydrochloric Acid SCHEMBL21083939 0.84 KMT2A (0.31) KMT2A
SCHEMBL26435832 0.83 ACHE (0.30) ACHEALDH1A1KDM4E
SCHEMBL13539597 0.82 CNR1 (0.34)
SCHEMBL879837 0.81 CYP19A1 (0.32) LMNAPDE3AKDM4E

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 256 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118271246-A Method for continuously preparing 2-butyl-1, 3-diazaspiro [4.4] nonane-1-en-4-one 浙江华海药业股份有限公司 2024-07-02 CN claimed
EP-2417110-B1 A ONE POT PROCESS FOR PREPARING 2-BUTYL-3-[[2'-(1H-TETRAZOL-5-YL)[1,1'-BIPHENYL]-4-YL]METHYL]-1,3-DIAZASPIRO [4, 4]NON-1-EN-4-ONE (IRBESARTAN) CTX LIFE SCIENCES PVT LTD (IN) 2014-05-07 EP claimed
EP-1885714-B1 PROCESS FOR THE PREPARATION OF 2-ALKYL-1-((2'-SUBSTITUTED-BIPHENYL-4-YL)METHYL)-IMIDAZOLE, DIHYDROIMIDAZOLE OR BENZIMIDAZOLE DERIVATIVES LEK PHARMACEUTICALS (SI) 2014-01-15 EP claimed
US-7964737-B2 Angiotensin II receptor antagonist; industrially viable, recoverable and reusable; Irbesartan JUBILANT ORGANOSYS LIMITED (IN) 2011-06-21 US claimed
EP-1853591-B1 METHOD FOR OBTAINING A PHARMACEUTICALLY ACTIVE COMPOUND (IRBESARTAN) AND ITS SYNTHESIS INTERMEDIATE INKE SA (ES) 2009-11-25 EP claimed
US-20090216026-A1 Novel synthesis of irbesartan NISNEVICH GENNADY 2009-08-27 US claimed
US-20090176849-A1 Process for the preparation of 2-alkyl-1-((2'-substituted-biphenyl-4-yl) Methyl)-imidazole, dihydroimidazole or benzimidazloe derivatives LEK PHARMACEUTICALS, D.D. (SI) 2009-07-09 US claimed
US-20090137648-A1 PROCESS FOR THE PREPARATION OF IRBESARTAN HYDROCHLORIDE CIPLA LIMITED (IN) 2009-05-28 US claimed
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 claimed
EP-1951714-A1 PROCESS FOR PRODUCING 2-(N-BUTYL)-3-[[2'-(TETRAZOL-5-YL)BIPHENYL- 4-YL]METHYL]-1,3-DIAZASPIRO[4.4]NON-1-EN-4-ONE Jubilant Organosys Limited (IN) 2008-08-06 EP claimed
WO-2008012852-A1 INTERMEDIATE COMPOUNDS FOR THE PREPARATION OF ANGIOTENSIN II ANTAGONISTS S.I.M.S. S.r.l. - SOCIETÀ ITALIANA MEDICINALI SCANDICCI (IT) 2008-01-31 WO claimed
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 claimed
WO-2006125592-A2 PROCESS FOR THE PREPARATION OF 2-ALKYL-1-((2'-SUBSTITUTED-BIPHENYL-4-YL)METHYL)-IMIDAZOLE, DIHYDROIMIDAZOLE OR BENZIMIDAZOLE DERIVATIVES LEK PHARMACEUTICALS D.D. (SI) 2006-11-30 WO claimed
EP-1546135-B1 NOVEL SYNTHESIS OF IRBESARTAN TEVA PHARMA (IL) 2006-09-27 EP claimed
US-20050176794-A1 Novel synthesis of irbesartan TEVA PHARMACEUTICALS USA, INC. 2005-08-11 US claimed
EP-1546135-A2 NOVEL SYNTHESIS OF IRBESARTAN TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2005-06-29 EP claimed
EP-1509517-A2 NOVEL SYNTHESIS OF IRBESARTAN TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2005-03-02 EP claimed
US-20040192713-A1 Novel synthesis of irbesartan TEVA PHARMACEUTICALS USA, INC. 2004-09-30 US claimed
WO-2004065383-A2 NOVEL SYNTHESIS OF IRBESARTAN TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2004-08-05 WO claimed
WO-2004007482-A2 NOVEL SYNTHESIS OF IRBESARTAN TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2004-01-22 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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
US-20040192713-A1 Novel synthesis of irbesartan REN, AGTR1, AGTR2 ACHE 4582/4885AGTR1 2/4885LTB4R2 997/4885
US-20090176849-A1 Process for the preparation of 2-alkyl-1-((2'-substituted-biphenyl-4-yl) Methyl)-imidazole, dihydroimidazole or benzimidazloe derivatives AGTR1, AGTR2, REN ACHE 4471/4885AGTR1 1/4885LTB4R2 2505/4885
US-20090216026-A1 Novel synthesis of irbesartan AGTR1, REN, AGTR2 ACHE 4579/4885AGTR1 1/4885LTB4R2 1882/4885
US-20050176794-A1 Novel synthesis of irbesartan AGTR1, REN, AGTR2 ACHE 3593/4885AGTR1 1/4885LTB4R2 1579/4885
US-20090137648-A1 PROCESS FOR THE PREPARATION OF IRBESARTAN HYDROCHLORIDE AGTR1, REN, AGTR2 ACHE 4846/4885AGTR1 1/4885LTB4R2 4244/4885

“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.