Bromide

Bromide

SCHEMBL3146027

Oc1cc(F)ccc1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]

nearest known ligand 0.41

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 18)

geneUniProtsupporting neighboursconfidence
SNCA P37840 2/20 0.41
CA3 P07451 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
HIF1A Q16665 1/20 0.38
ALOX5 P09917 1/20 0.36
CASP6 P55212 4/20 0.35
APP P05067 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAOB P27338 3/20 0.34
MAP2K4 P45985 1/20 0.33

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
Bromide SCHEMBL2160587 0.88 SNCA (0.40) SNCACA3CA6CA5ACA9
Bromide SCHEMBL3160038 0.84 IDO1 (0.42) SNCAHIF1A
Bromide SCHEMBL4295359 0.81 SNCA (0.40) SNCAHIF1AALOX5APPALDH1A1
Bromide SCHEMBL3150446 0.81 MEN1 (0.44) SNCAHIF1AALOX5ALDH1A1TSHR
Bromide SCHEMBL16268188 0.81 TDP1 (0.41) SNCAHIF1AALDH1A1CYP1A2CYP2D6
Bromide SCHEMBL8141368 0.81 SNCA (0.37) SNCAHIF1AALDH1A1CYP1A2CYP2D6
Bromide SCHEMBL3154177 0.81 ACP3 (0.38) SNCAALDH1A1CYP2D6TSHRMAOB
Hydrochloric Acid SCHEMBL28252633 0.81 IDO1 (0.42) SNCAHIF1A
Hydrochloric Acid SCHEMBL8570013 0.81 ALOX5 (0.53) SNCAHIF1AALOX5
Bromide SCHEMBL898427 0.80 HSPA5 (0.48) SNCACA9HIF1AALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100081692-A1 Novel 1-Benzyl-4-Piperidinamines that are Useful in the Treatment of COPD and Asthma ASTRAZENECA AB (SE) 2010-04-01 US disclosed
EP-1945613-A1 NOVEL 1 -BENZYL-4-PIPERIDINAMINES THAT ARE USEFUL IN THE TREATMENT OF COPD AND ASTHMA AstraZeneca AB (SE) 2008-07-23 EP disclosed
WO-2007053082-A1 NOVEL 1 -BENZYL-4-PIPERIDINAMINES THAT ARE USEFUL IN THE TREATMENT OF COPD AND ASTHMA ASTRAZENECA AB (SE) 2007-05-10 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 (1 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-20100081692-A1 Novel 1-Benzyl-4-Piperidinamines that are Useful in the Treatment of COPD and Asthma CCR1, CCR4, CCR10 SNCA 4612/4885CA3 4794/4885CA6 3319/4885

“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.