SCHEMBL796

SCHEMBL796

BrCc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.50
AGTR2 P50052 1/20 0.50
AGT P01019 2/20 0.39
P2RX7 Q99572 5/20 0.36
ALDH1A1 P00352 2/20 0.33
TRPA1 O75762 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
POLB P06746 2/20 0.32

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
SCHEMBL29404889 1.00 AGTR1 (0.50) AGTR1AGTR2AGTP2RX7ALDH1A1
SCHEMBL7196989 0.91 AGTR1 (0.41) AGTR1AGTR2P2RX7ALDH1A1TRPA1
SCHEMBL8907583 0.90 AGTR1 (0.51) AGTR1AGTR2AGTP2RX7
SCHEMBL7384556 0.89 AGTR1 (0.42) AGTR1AGTR2AGTP2RX7
SCHEMBL29931185 0.89 AGTR1 (0.44) AGTR1AGTR2AGTP2RX7ALDH1A1
SCHEMBL588221 0.89 AGTR1 (0.44) AGTR1AGTR2AGTP2RX7ALDH1A1
SCHEMBL9024777 0.88 AGTR1 (0.51) AGTR1AGTR2AGTP2RX7TSHR
SCHEMBL30316147 0.88 AGTR1 (0.51) AGTR1AGTR2AGTP2RX7TSHR
SCHEMBL8246839 0.87 AGTR1 (0.50) AGTR1AGTR2AGTP2RX7ALDH1A1
SCHEMBL4246354 0.87 AGTR1 (0.50) AGTR1AGTR2AGTP2RX7HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114163391-B Candesartan intermediate and preparation method of Candesartan 迪嘉药业集团股份有限公司 2024-02-02 CN claimed
CN-114733575-A Palladium-loaded molecular sieve catalyst and preparation method and application thereof 浙江天宇药业股份有限公司 2022-07-12 CN claimed
CN-114733526-A Nickel-loaded porous carbon material catalyst and preparation method and application thereof 浙江天宇药业股份有限公司 2022-07-12 CN claimed
CN-114163391-A Candesartan intermediate and preparation method of candesartan 迪嘉药业集团有限公司 2022-03-11 CN claimed
CN-113717118-B Synthesis process of valsartan 安徽美诺华药物化学有限公司 2022-03-01 CN claimed
CN-113717118-A Synthesis process of valsartan 安徽美诺华药物化学有限公司 2021-11-30 CN claimed
CN-113666881-A Synthesis method of mutagenic azide impurities in tetrazole sartan bulk drugs 河南华商药业有限公司 2021-11-19 CN claimed
EP-3083582-B1 A NEW PROCESS FOR THE PREPARATION OF CANDESARTAN CILEXETIL FARMA GRS D O O (SI) 2019-06-26 EP claimed
EP-1910343-B1 PROCESS FOR THE PREPARATION OF OLMESARTAN MEDOXOMIL KRKA (SI) 2014-10-29 EP claimed
EP-2173741-B1 A PROCESS FOR THE PREPARATION OF OLMESARTAN MEDOXOMIL LEK PHARMACEUTICALS (SI) 2013-10-02 EP claimed
US-7038060-B2 Synthesis of 2-butyl-3-(2′-(1-trityl-1H-tetrazol-5-yl)biphenyl-4-yl)-1,3-diazaspiro[4.4]-non-ene-4-one TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2006-05-02 US claimed
EP-1622882-A1 A METHOD OF PREPARATION OF N -(1-OXOPENTYL)- N-[[ 2-(1TETRAZOL-5-y1) [1,1 -BIPHENYL]-4-y1 METHYL] -L-VALINE (VALSARTAN) ZENTIVA, A.S. (CZ) 2006-02-08 EP claimed
EP-1590343-A1 SYNTHESIS OF 2-BUTYL-3-(2 -(1-TRITYL-1H-TETRAZOL-5-YL)BIPHEN YL-4-YL)-1,3-DIAZASPIROL 4,4 -NON-ENE-4-ONE Teva Pharmaceutical Industries Limited (IL) 2005-11-02 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
WO-2005049602-A1 QUINOLONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2005-06-02 WO claimed
US-20040242894-A1 Novel synthesis of 2-butyl-3-(2'-(1-trityl-1H-tetrazol-5-yl)biphenyl-4-yl)-1,3-diazaspiro[4.4]-non-ene-4-one TEVA PHARMACEUTICALS USA, INC. 2004-12-02 US claimed
WO-2004101534-A1 A METHOD OF PREPARATION OF N-(1-OXOPENTYL)-N-[[2'-(1H-TETRAZOL-5-y1) [1,1'-BIPHENYL] -4-y1]METHYL]-L-VALINE (VALSARTAN) ZENTIVA, A. S. (CZ) 2004-11-25 WO claimed
WO-2004072064-A1 SYNTHESIS OF 2-BUTYL-3-(2'-(1-TRITYL-1H-TETRAZOL-5-YL)BIPHENYL-4-YL)-1,3-DIAZASPIROL[4,4]-NON-ENE-4-ONE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2004-08-26 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 (2 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-20040242894-A1 Novel synthesis of 2-butyl-3-(2'-(1-trityl-1H-tetrazol-5-yl)biphenyl-4-yl)-1,3-diazaspiro[4.4]-non-ene-4-one AGTR1, AGTR2, TEK AGTR1 1/4885AGTR2 2/4885AGT 11/4885
US-20050176794-A1 Novel synthesis of irbesartan AGTR1, REN, AGTR2 AGTR1 1/4885AGTR2 3/4885AGT 5/4885

“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.