SCHEMBL3176403

SCHEMBL3176403

CCOc1nc2cccc(C(=O)OC)c2n1Cc1ccc(Br)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 3/20 0.52
AGTR1 P30556 3/20 0.52
CYP3A4 P08684 2/20 0.52
ADORA3 P0DMS8 2/20 0.52
ADRA2B P18089 2/20 0.52
SLC6A2 P23975 2/20 0.52
PPARG P37231 2/20 0.52
HTR2B P41595 2/20 0.52
PDE3A Q14432 2/20 0.52
ABCB11 O95342 1/20 0.52
EGFR P00533 1/20 0.52
ERBB2 P04626 1/20 0.52
CYP2C9 P11712 1/20 0.52
ADRB3 P13945 1/20 0.52
TBXAS1 P24557 1/20 0.52
HTR2C P28335 1/20 0.52
LTB4R2 Q9NPC1 1/20 0.52
NAE1 Q13564 3/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL8265591 0.89 AGTR1 (0.64) AGTR2AGTR1CYP3A4ADORA3ADRA2B
SCHEMBL22533557 0.88 AGTR2 (0.51) AGTR2AGTR1CYP3A4ADORA3ADRA2B
SCHEMBL3977106 0.88 AGTR2 (0.62) AGTR2AGTR1CYP3A4ADORA3ADRA2B
SCHEMBL4620376 0.84 KMT2A (0.40) AGTR2AGTR1CYP3A4ADORA3ADRA2B
SCHEMBL7018017 0.84 PPARG (0.59) AGTR2AGTR1CYP3A4ADORA3ADRA2B
SCHEMBL21168140 0.84 AGTR2 (0.59) AGTR2AGTR1CYP3A4ADORA3ADRA2B
SCHEMBL30206864 0.84 PPARG (0.59) AGTR2AGTR1CYP3A4ADORA3ADRA2B
SCHEMBL12476143 0.84 AGTR2 (0.58) AGTR2AGTR1CYP3A4ADORA3ADRA2B
SCHEMBL21083997 0.83 NAE1 (0.55) AGTR2AGTR1CYP3A4ADORA3ADRA2B
SCHEMBL21167865 0.83 AGTR2 (0.57) AGTR2AGTR1CYP3A4ADORA3ADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12037324-B2 Biarylmethyl heterocycles BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-16 US disclosed
US-12037324-B2 Biarylmethyl heterocycles BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-16 US disclosed
EP-3478672-B1 BIARYLMETHYL HETEROCYCLES UNIV MONTREAL (CA) 2024-04-10 EP disclosed
US-20230045357-A1 BIARYLMETHYL HETEROCYCLES Université de Montréal (CA) 2023-02-09 US disclosed
US-20230045357-A1 BIARYLMETHYL HETEROCYCLES Université de Montréal (CA) 2023-02-09 US disclosed
US-11407733-B2 Biarylmethyl heterocycles BRISTOL-MYERS SQUIBB COMPANY (US) 2022-08-09 US disclosed
US-20190202808-A1 BIARYLMETHYL HETEROCYCLES BRISTOL-MYERS SQUIBB COMPANY 2019-07-04 US disclosed
US-20190202808-A1 BIARYLMETHYL HETEROCYCLES BRISTOL-MYERS SQUIBB COMPANY 2019-07-04 US disclosed
US-10300471-B2 Ruthenium-catalyzed synthesis of biaryl compounds in water CHICAGO DISCOVERY SOLUTIONS, LLC 2019-05-28 US disclosed
US-20160263565-A1 RUTHENIUM-CATALYZED SYNTHESIS OF BIARYL COMPOUNDS IN WATER CHICAGO DISCOVERY SOLUTIONS, LLC (US) 2016-09-15 US disclosed
WO-2015054120-A1 RUTHENIUM-CATALYZED SYNTHESIS OF BIARYL COMPOUNDS IN WATER CHICAGO DISCOVERY SOLUTIONS, LLC (US) 2015-04-16 WO disclosed
EP-1838699-B1 METHOD FOR PRODUCTION OF CANDESARTAN RATIOPHARM GMBH (DE) 2010-04-28 EP disclosed
US-20100010035-A1 Novel Dual Action Receptors Antagonists (Dara) at the Ati and Eta Receptors TORRENT PHARMACEUTICALS LTD. (IN) 2010-01-14 US disclosed
EP-1996588-A1 NOVEL DUAL ACTION RECEPTORS ANTAGONISTS (DARA) AT THE ATI AND ETA RECEPTORS Torrent Pharmaceuticals Ltd (IN) 2008-12-03 EP disclosed
US-20080114045-A1 Process for the Production of Candesartan GRAF-ARCO-STR. 3 (DE) 2008-05-15 US disclosed
US-20080114045-A1 Process for the Production of Candesartan GRAF-ARCO-STR. 3 (DE) 2008-05-15 US disclosed
WO-2007100295-A1 NOVEL DUAL ACTION RECEPTORS ANTAGONISTS (DARA) AT THE ATI AND ETA RECEPTORS TORRENT PHARMACEUTICALS LTD (IN) 2007-09-07 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 (8 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-11407733-B2 Biarylmethyl heterocycles ARRB1, ADRB2, ADRB1 AGTR2 6/4885AGTR1 7/4885CYP3A4 573/4885
US-20190202808-A1 BIARYLMETHYL HETEROCYCLES ARRB1, ADRB2, ADRB1 AGTR2 6/4885AGTR1 7/4885CYP3A4 573/4885
US-10300471-B2 Ruthenium-catalyzed synthesis of biaryl compounds in water RUVBL2, RUVBL1, CYP2W1 AGTR2 265/4885AGTR1 372/4885CYP3A4 77/4885
US-20100010035-A1 Novel Dual Action Receptors Antagonists (Dara) at the Ati and Eta Receptors EDNRA, EDNRB, AGTR1 AGTR2 4/4885AGTR1 3/4885CYP3A4 2927/4885
US-20080114045-A1 Process for the Production of Candesartan REN, AGTR1, ACE AGTR2 5/4885AGTR1 2/4885CYP3A4 157/4885
US-12037324-B2 Biarylmethyl heterocycles ARRB1, ADRB2, ADRB1 AGTR2 6/4885AGTR1 7/4885CYP3A4 573/4885
US-20160263565-A1 RUTHENIUM-CATALYZED SYNTHESIS OF BIARYL COMPOUNDS IN WATER RUVBL2, RUVBL1, CYP2W1 AGTR2 265/4885AGTR1 372/4885CYP3A4 77/4885
US-20230045357-A1 BIARYLMETHYL HETEROCYCLES ARRB1, ADRB2, ADRB1 AGTR2 6/4885AGTR1 7/4885CYP3A4 573/4885

“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.