Bromide

Bromide

SCHEMBL4481380

Br.COc1ccc(-c2ccc(C34C=CCN(CC3)C4)cn2)cc1OC

nearest known ligand 0.38

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 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 8/20 0.38
TNF P01375 1/20 0.35
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
HPGD P15428 2/20 0.34
TSHR P16473 2/20 0.34
MAPK1 P28482 2/20 0.34
HSD17B10 Q99714 2/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
GAK O14976 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
BRD4 O60885 1/20 0.34
KDM1A O60341 1/20 0.34

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
SCHEMBL5216772 0.99 FYN (0.38) FYNTNFKDM4EALDH1A1SMN1; SMN2
SCHEMBL4463735 0.85 RXFP1 (0.39) FYNKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL2678945 0.82 FYN (0.43) FYNTNFKDM4EALDH1A1SMN1; SMN2
SCHEMBL4475112 0.81 CHRNA7 (0.37) KDM1A
SCHEMBL4461401 0.80 ALOX5AP (0.31) KDM1A
Bromide SCHEMBL4466117 0.80 HSD11B1 (0.37)
SCHEMBL4465250 0.80 KDM1A (0.40) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
Bromide SCHEMBL4460701 0.80 FYN (0.40) FYNTNFKDM4EALDH1A1SMN1; SMN2
SCHEMBL4470449 0.79 SLC6A2 (0.38) FYNKDM4EALDH1A1KDM1ACYP2D6
SCHEMBL4463819 0.79 HSD11B1 (0.38)

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 FYN 2086/4885TNF 4046/4885KDM4E 2300/4885

“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.