Bromide

Bromide

SCHEMBL4460701

Br.COc1ccc(-c2ccc(C34CCCN(CC3)C4)cn2)cc1OC

nearest known ligand 0.40

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
SLC6A2 known ✓ P23975 1/20 0.36
SLC6A4 known ✓ P31645 1/20 0.36
SLC6A3 known ✓ Q01959 1/20 0.36
FYN P06241 5/20 0.40
ALDH1A1 P00352 4/20 0.38
HPGD P15428 3/20 0.38
KDM4E B2RXH2 3/20 0.38
HSD17B10 Q99714 2/20 0.38
MAPK1 P28482 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
NOS1 P29475 1/20 0.37
USP2 O75604 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL5223011 0.99 FYN (0.40) FYNALDH1A1HPGDKDM4EHSD17B10
SCHEMBL2678759 0.97 FYN (0.42) FYNALDH1A1HPGDKDM4EHSD17B10
Hydrochloric Acid SCHEMBL2678564 0.95 FYN (0.41) FYNALDH1A1HPGDKDM4EHSD17B10
SCHEMBL2678945 0.94 FYN (0.43) FYNALDH1A1HPGDKDM4EHSD17B10
SCHEMBL2679330 0.87 HSD11B1 (0.41) ALDH1A1HPGDKDM4ESMN1; SMN2CYP3A4
Bromide SCHEMBL4480044 0.85 RXFP1 (0.40) FYNSMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL2678054 0.84 HSD11B1 (0.42) ALDH1A1HPGDKDM4EHSD17B10SMN1; SMN2
SCHEMBL4469713 0.84 RXFP1 (0.41) FYNSMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL2678305 0.82 KDM1A (0.47) FYNALDH1A1KDM4EHSD17B10SMN1; SMN2
SCHEMBL2678397 0.81 RXFP1 (0.43) FYNSMN1; SMN2NOS1SLC6A2SLC6A4

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 SLC6A2 2250/4885SLC6A4 2872/4885SLC6A3 1896/4885

“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.