SCHEMBL489579

SCHEMBL489579

CC(C)(C)OC(=O)c1ccccc1-c1ccc(CBr)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 16/20 0.45
SLC6A3 Q01959 3/20 0.43
SLC6A4 P31645 2/20 0.43
LTB4R2 Q9NPC1 1/20 0.41
SLC6A2 P23975 1/20 0.41

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
SCHEMBL18280481 0.90 SLC6A3 (0.43) BDKRB1SLC6A3SLC6A4SLC6A2
SCHEMBL13989094 0.86 SLC6A3 (0.42) BDKRB1SLC6A3SLC6A4SLC6A2
SCHEMBL6900070 0.84 SLC6A3 (0.48) BDKRB1SLC6A3SLC6A4SLC6A2
SCHEMBL1709749 0.83 BDKRB1 (0.43) BDKRB1SLC6A3SLC6A4LTB4R2SLC6A2
SCHEMBL489515 0.82 SLC6A3 (0.47) BDKRB1SLC6A3SLC6A4SLC6A2
SCHEMBL18414298 0.81 BDKRB1 (0.50) BDKRB1
SCHEMBL2312006 0.80 LTB4R2 (0.55) LTB4R2
SCHEMBL2450114 0.80 TSHR (0.53) SLC6A3SLC6A4LTB4R2
SCHEMBL18280624 0.80 SLC6A3 (0.47) BDKRB1SLC6A3SLC6A4SLC6A2
SCHEMBL283 0.79 SLC6A3 (0.48) BDKRB1SLC6A3SLC6A4LTB4R2SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2483246-B1 PROCESS FOR PREPARING BIPHENYL IMIDAZOLE COMPOUNDS THERAVANCE BIOPHARMA R&D IP LLC (US) 2017-11-15 EP disclosed
EP-2483246-B1 PROCESS FOR PREPARING BIPHENYL IMIDAZOLE COMPOUNDS THERAVANCE BIOPHARMA R&D IP LLC (US) 2017-11-15 EP disclosed
EP-3121167-A1 COMPOUND BINDING TO PPARG BUT NOT ACTING AS PROMOTER AND PHARMACEUTICAL COMPOSITION FOR TREATING PPARG-RELATED DISEASES CONTAINING SAME AS ACTIVE INGREDIENT Hyundai Pharm Co., Ltd. (KR) 2017-01-25 EP disclosed
EP-3121167-A1 COMPOUND BINDING TO PPARG BUT NOT ACTING AS PROMOTER AND PHARMACEUTICAL COMPOSITION FOR TREATING PPARG-RELATED DISEASES CONTAINING SAME AS ACTIVE INGREDIENT Hyundai Pharm Co., Ltd. (KR) 2017-01-25 EP disclosed
US-20160355483-A1 COMPOUND BINDING TO PPARG BUT NOT ACTING AS PROMOTER AND PHARMACEUTICAL COMPOSITION FOR TREATING PPARG-RELATED DISEASES CONTAINING SAME AS ACTIVE INGREDIENT HYUNDAI PHARM CO., LTD. (KR) 2016-12-08 US disclosed
US-20160355483-A1 COMPOUND BINDING TO PPARG BUT NOT ACTING AS PROMOTER AND PHARMACEUTICAL COMPOSITION FOR TREATING PPARG-RELATED DISEASES CONTAINING SAME AS ACTIVE INGREDIENT HYUNDAI PHARM CO., LTD. (KR) 2016-12-08 US disclosed
US-20160355483-A1 COMPOUND BINDING TO PPARG BUT NOT ACTING AS PROMOTER AND PHARMACEUTICAL COMPOSITION FOR TREATING PPARG-RELATED DISEASES CONTAINING SAME AS ACTIVE INGREDIENT HYUNDAI PHARM CO., LTD. (KR) 2016-12-08 US disclosed
EP-2451782-B1 DUAL-ACTING PYRAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE BIOPHARMA R&D IP LLC (US) 2016-11-09 EP disclosed
EP-2451782-B1 DUAL-ACTING PYRAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE BIOPHARMA R&D IP LLC (US) 2016-11-09 EP disclosed
US-9273008-B2 Dual-acting imidazole antihypertensive agents THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-03-01 US disclosed
US-20090023228-A1 Dual-acting Imidazole antihypertensive agents THERAVANCE, INC. 2009-01-22 US disclosed
US-20090023228-A1 Dual-acting Imidazole antihypertensive agents THERAVANCE, INC. 2009-01-22 US disclosed
US-20080318951-A1 Dual-acting benzoimidazole antihypertensive agents THERAVANCE, INC. 2008-12-25 US disclosed
WO-2008153857-A1 DUAL-ACTING BENZOIMIDAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2008-12-18 WO disclosed
WO-2008153857-A1 DUAL-ACTING BENZOIMIDAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2008-12-18 WO disclosed
WO-2008133896-A2 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2008-11-06 WO disclosed
WO-2008133896-A2 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2008-11-06 WO disclosed
US-20080269305-A1 R)-N-{2-Butyl-3-[2'-(2H-tetrazol-5-yl)biphenyl-4-ylmethyl]-3H-imidazol-4-ylmethyl}-2-(2-hydroxycarbamoyl-3-phenyl-propionylamino)succinamic Acid; AT1 receptor antagonist and neprilysin (NEP) enzyme inhibition activity; hypertension, heart failure THERAVANCE, INC. 2008-10-30 US disclosed
US-20080269305-A1 R)-N-{2-Butyl-3-[2'-(2H-tetrazol-5-yl)biphenyl-4-ylmethyl]-3H-imidazol-4-ylmethyl}-2-(2-hydroxycarbamoyl-3-phenyl-propionylamino)succinamic Acid; AT1 receptor antagonist and neprilysin (NEP) enzyme inhibition activity; hypertension, heart failure THERAVANCE, INC. 2008-10-30 US disclosed
US-20080269305-A1 R)-N-{2-Butyl-3-[2'-(2H-tetrazol-5-yl)biphenyl-4-ylmethyl]-3H-imidazol-4-ylmethyl}-2-(2-hydroxycarbamoyl-3-phenyl-propionylamino)succinamic Acid; AT1 receptor antagonist and neprilysin (NEP) enzyme inhibition activity; hypertension, heart failure THERAVANCE, INC. 2008-10-30 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 (4 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-20080269305-A1 R)-N-{2-Butyl-3-[2'-(2H-tetrazol-5-yl)biphenyl-4-ylmethyl]-3H-imidazol-4-ylmethyl}-2-(2-hydroxycarbamoyl-3-phenyl-propionylamino)succinamic Acid; AT1 receptor antagonist and neprilysin (NEP) enzyme inhibition activity; hypertension, heart failure AGTR2, REN, AGTR1 BDKRB1 398/4885SLC6A3 2826/4885SLC6A4 924/4885
US-20160355483-A1 COMPOUND BINDING TO PPARG BUT NOT ACTING AS PROMOTER AND PHARMACEUTICAL COMPOSITION FOR TREATING PPARG-RELATED DISEASES CONTAINING SAME AS ACTIVE INGREDIENT PPARG, CDK5, CDK5R1 BDKRB1 2004/4885SLC6A3 4653/4885SLC6A4 4563/4885
US-20090023228-A1 Dual-acting Imidazole antihypertensive agents AGTR1, AGTR2, REN BDKRB1 36/4885SLC6A3 336/4885SLC6A4 314/4885
US-20080318951-A1 Dual-acting benzoimidazole antihypertensive agents AGTR1, REN, AGTR2 BDKRB1 27/4885SLC6A3 663/4885SLC6A4 316/4885

“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.