Sugi Predict

Sugi Predict / Compounds / Bromide

Bromide

Bromide

SCHEMBL4864422

Br.Oc1ccc(SC2CCCNCC2)c(Cl)c1

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
▸ SLC6A2 known ✓ P23975 2/20 0.31
▸ SLC6A4 known ✓ P31645 2/20 0.31
▸ SLC6A3 known ✓ Q01959 2/20 0.31
▸ MEN1 O00255 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ DRD2 P14416 2/20 0.33
▸ DRD1 P21728 2/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ DRD4 P21917 1/20 0.33
▸ DRD5 P21918 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ CA12 O43570 2/20 0.32
▸ CA1 P00915 2/20 0.32
▸ CA2 P00918 2/20 0.32
▸ CA4 P22748 2/20 0.32
▸ CA6 P23280 2/20 0.32
▸ CA7 P43166 2/20 0.32
▸ CA9 Q16790 2/20 0.32
▸ CA13 Q8N1Q1 2/20 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
Bromide SCHEMBL4868749 1.00 MEN1 (0.38) MEN1CYP1A2KMT2ADRD2DRD1
Bromide SCHEMBL4875104 1.00 MEN1 (0.38) MEN1CYP1A2KMT2ADRD2DRD1
SCHEMBL14082481 0.99 MEN1 (0.38) MEN1CYP1A2KMT2ADRD2DRD1
SCHEMBL14082459 0.93 MEN1 (0.42) MEN1CYP1A2KMT2ADRD2DRD1
SCHEMBL14082473 0.84 HSD17B10 (0.36) MEN1CYP1A2KMT2ADRD2DRD1
SCHEMBL4873500 0.74 DRD1 (0.39) CYP1A2DRD2DRD1DRD4DRD5
SCHEMBL14082480 0.74 DRD1 (0.39) CYP1A2DRD2DRD1DRD4DRD5
SCHEMBL14082458 0.72 DRD2 (0.41) CYP1A2DRD2DRD1HSD17B10DRD4
SCHEMBL6617111 0.71 DRD2 (0.38) DRD2DRD1DRD4DRD3KCNH2
SCHEMBL83809 0.71 CYP1A2 (0.50) MEN1CYP1A2KMT2ASLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7408067-B2 Aza-cyclic compounds as modulators of acetylcholine receptors MERCK + CO., INC. (US) 2008-08-05 — — US disclosed
US-20050070520-A1 Aza-cyclic compounds as modulators of acetylcholine receptors MERCK SHARP & DOHME CORP. 2005-03-31 — — US disclosed
EP-1467986-A1 AZA-CYCLIC COMPOUNDS AS MODULATORS OF ACETYLCHOLINE RECEPTORS ELI LILLY AND COMPANY (US) 2004-10-20 — — EP disclosed
WO-2003062224-A1 AZA-CYCLIC COMPOUNDS AS MODULATORS OF ACETYLCHOLINE RECEPTORS ELI LILLY AND COMPANY (US) 2003-07-31 — — 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-20050070520-A1 Aza-cyclic compounds as modulators of acetylcholine receptors CHRNG, CHRNA4, CHRNB4 SLC6A2 236/4885SLC6A4 176/4885SLC6A3 203/4885

“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.