Bromide

Bromide

SCHEMBL4474316

Br.C1=CC2(c3ccc(-c4csc5ccccc45)nc3)CCN(C1)C2

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4

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 17)

geneUniProtsupporting neighboursconfidence
CHRM2 known ✓ P08172 1/20 0.33
CHRM3 known ✓ P20309 1/20 0.33
KDM1A O60341 1/20 0.43
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
C5AR1 P21730 2/20 0.34
APP P05067 1/20 0.33
CYP2C9 P11712 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
ACVRL1 P37023 1/20 0.31
ACVR1 Q04771 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL5215870 0.99 KDM1A (0.44) KDM1ACYP11B1CYP11B2C5AR1APP
SCHEMBL4465415 0.80 NPC1 (0.36) CYP11B1CYP11B2
SCHEMBL4467650 0.80
Bromide SCHEMBL4466117 0.80 HSD11B1 (0.37) CYP11B1CYP11B2
SCHEMBL4463819 0.79 HSD11B1 (0.38) CYP11B1CYP11B2
Bromide SCHEMBL4474311 0.78 KDM1A (0.43) KDM1ACYP11B1CYP11B2CHRM2CHRM4
Bromide SCHEMBL4460345 0.78 HSD11B1 (0.31)
Bromide SCHEMBL4460868 0.78 HPGDS (0.36) CYP11B1CYP11B2ALDH1A1HSD17B10
SCHEMBL4473740 0.78 KDM1A (0.46) KDM1ACYP11B1CYP11B2C5AR1APP
SCHEMBL4467652 0.77 KDM1A (0.43) KDM1ACYP11B1CYP11B2CHRM2CHRM4

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-7585974-B2 Derivatives of 5-(pyridin-3-yl)-1-azabicyclo[3.2.1]octane, their preparation and their therapeutic application SANOFI-AVENTIS (FR) 2009-09-08 US claimed
US-20070185137-A1 Derivatives of 5-(pyridin-3-yl)-1-azabicyclo[3.2.1]octane, their preparation and their therapeutic application SANOFI-AVENTIS (FR) 2007-08-09 US claimed
EP-1465893-B1 DERIVATIVES OF 5-(PYRIDIN-3-YL)-1-AZABICYCLO (3.2.1) OCTANE, THE PREPARATION THEREOF AND THE APPLICATION OF SAME IN THERAPEUTICS SANOFI AVENTIS (FR) 2007-02-28 EP 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 (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-20070185137-A1 Derivatives of 5-(pyridin-3-yl)-1-azabicyclo[3.2.1]octane, their preparation and their therapeutic application PAICS, CYC1, AADAC CHRM2 93/4885CHRM3 118/4885KDM1A 1225/4885

“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.