Bromide

Bromide

SCHEMBL3875221

CC(=O)Cc1ccc(C[N+]2(C)CCN(C)CCN(C)CC2)cc1.[Br-]

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1

The experimentally established mechanism targets of Bromide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.36
CHRNA7 P36544 1/20 0.36
POLB P06746 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
HDAC6 Q9UBN7 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
NPBWR1 P48145 1/20 0.34
MCHR1 Q99705 1/20 0.34
HDAC4 P56524 1/20 0.34
HRH3 Q9Y5N1 2/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTR1A P08908 1/20 0.32
HTR2C P28335 1/20 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
SCHEMBL2911759 0.98 MAPT (0.44) MAPTSMN1; SMN2CHRNA7POLBCHRNB2
Bromide SCHEMBL3874702 0.87 MAPT (0.41) MAPTSMN1; SMN2CHRNA7POLBCHRNB2
SCHEMBL2911826 0.85 MAPT (0.42) MAPTSMN1; SMN2CHRNA7POLBCHRNB2
SCHEMBL15367682 0.76 CHRNA7 (0.43) CHRNA7POLBCHRNB2CHRNA4MEN1
SCHEMBL18459295 0.74 LMNA (0.51) MAPTCHRNA7CHRNB2CHRNA4KMT2A
SCHEMBL7776562 0.74 MC4R (0.48) SMN1; SMN2CHRNA7POLBCHRNB2CHRNA4
SCHEMBL7071428 0.70 ALDH1A1 (0.48) MAPTPOLBMEN1KMT2ALMNA
SCHEMBL8403545 0.69 POLB (0.61) POLBKMT2ALMNATSHR
SCHEMBL14621959 0.68 SMN1; SMN2 (0.42) SMN1; SMN2TSHRHTR1A
Bromide SCHEMBL3874361 0.67 CCR5 (0.43) MAPTCHRNA7POLBCHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7579339-B2 Ring-substituted diphenylazetidinones, process for their preparation, medicaments comprising these compounds, and their use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-08-25 US disclosed
US-7407938-B2 1,4-Diphenyl-3-(3-hydroxy-3-phenylpropyl)-2-azetidinones, e.g., 2,3,4,5,6-Pentahydroxyhexylamide of 4-(4-{4-[3-[3-(4-fluorophenyl)-3-hydroxypropyl]-2-(4-methoxyphenyl)-4-oxoazetidin-1-y]lbenzylcarbamoyl}phenoxy)benzoic acid; antilipemic agents that have intestinal absorption of less than 10%, SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-08-05 US disclosed
US-7390790-B2 Ring-substituted diphenylazetidinones, process for their preparation, medicaments comprising these compounds, and their use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-06-24 US disclosed
US-20070043017-A1 Ring-substituted diphenylazetidinones, process for their preparation, medicaments comprising these compounds, and their use SANOFI-AVENTIS DEUTSCHLAND GMBH 2007-02-22 US disclosed
US-20070037787-A1 1,4-Diphenyl-3-(3-hydroxy-3-phenylpropyl)-2-azetidinones, e.g., 2,3,4,5,6-Pentahydroxyhexylamide of 4-(4-{4-[3-[3-(4-fluorophenyl)-3-hydroxypropyl]-2-(4-methoxyphenyl)-4-oxoazetidin-1-y]lbenzylcarbamoyl}phenoxy)benzoic acid; antilipemic agents that have intestinal absorption of less than 10%, SANOFI-AVENTIS DEUTSCHLAND GMBH 2007-02-15 US disclosed
US-7176194-B2 Ring-substituted diphenylazetidinones, process for their preparation, medicaments comprising these compounds, and their use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-02-13 US disclosed
US-20060270613-A1 Ring-substituted diphenylazetidinones, process for their preparation, medicaments comprising these compounds, and their use SANOFI-AVENTIS DEUTSCHLAND GMBH 2006-11-30 US disclosed
US-20040082561-A1 Ring -substituted diphenylazetidinones, process for their preparation, medicaments comprising these compounds, and their use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-04-29 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-20070043017-A1 Ring-substituted diphenylazetidinones, process for their preparation, medicaments comprising these compounds, and their use QDPR, CYP2D6, DHCR7 MAPT 4812/4885SMN1; SMN2 4716/4885CHRNA7 4866/4885
US-20040082561-A1 Ring -substituted diphenylazetidinones, process for their preparation, medicaments comprising these compounds, and their use QDPR, CYP2D6, DHCR7 MAPT 4800/4885SMN1; SMN2 4669/4885CHRNA7 4868/4885
US-20060270613-A1 Ring-substituted diphenylazetidinones, process for their preparation, medicaments comprising these compounds, and their use QDPR, CYP2D6, DHCR7 MAPT 4812/4885SMN1; SMN2 4716/4885CHRNA7 4866/4885
US-20070037787-A1 1,4-Diphenyl-3-(3-hydroxy-3-phenylpropyl)-2-azetidinones, e.g., 2,3,4,5,6-Pentahydroxyhexylamide of 4-(4-{4-[3-[3-(4-fluorophenyl)-3-hydroxypropyl]-2-(4-methoxyphenyl)-4-oxoazetidin-1-y]lbenzylcarbamoyl}phenoxy)benzoic acid; antilipemic agents that have intestinal absorption of less than 10%, HPD, FABP2, CYP2B6 MAPT 4885/4885SMN1; SMN2 4677/4885CHRNA7 4549/4885

“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.