Bromide

Bromide

SCHEMBL4517060

Br.COC(=O)C1CCCCC1CN

nearest known ligand 0.41

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 15)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 known ✓ P23975 2/20 0.41
▸ SLC6A4 known ✓ P31645 1/20 0.38
▸ CHRM2 known ✓ P08172 1/20 0.38
▸ CHRM3 known ✓ P20309 1/20 0.38
▸ CHRM4 P08173 1/20 0.38
▸ GABRR1 P24046 4/20 0.35
▸ GABRR2 P28476 1/20 0.35
▸ TAS1R3 Q7RTX0 1/20 0.35
▸ TAS1R1 Q7RTX1 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ EPHX1 P07099 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ FKBP1A P62942 1/20 0.34
▸ TP53 P04637 1/20 0.33
▸ CYP3A4 P08684 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
SCHEMBL15888749 0.98 SLC6A2 (0.42) SLC6A2SLC6A4CHRM2CHRM4CHRM3
SCHEMBL13918262 0.98 SLC6A2 (0.42) SLC6A2SLC6A4CHRM2CHRM4CHRM3
SCHEMBL22447718 0.94 CHRM2 (0.42) SLC6A2SLC6A4CHRM2CHRM4CHRM3
Hydrochloric Acid SCHEMBL29025230 0.85 GABRR1 (0.42) CHRM2CHRM4CHRM3GABRR1GABRR2
SCHEMBL30472587 0.81 SLC6A2 (0.40) SLC6A2SLC6A4CHRM2CHRM4CHRM3
SCHEMBL2295236 0.81 SLC6A2 (0.40) SLC6A2SLC6A4CHRM2CHRM4CHRM3
SCHEMBL30472636 0.81 SLC6A2 (0.40) SLC6A2SLC6A4CHRM2CHRM4CHRM3
SCHEMBL1934486 0.81 SLC6A2 (0.40) SLC6A2SLC6A4CHRM2CHRM4CHRM3
SCHEMBL12556399 0.79 HDAC8 (0.40) SLC6A2SLC6A4CHRM2CHRM4CHRM3
SCHEMBL12556893 0.79 HDAC8 (0.40) SLC6A2SLC6A4CHRM2CHRM4CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7498460-B2 Isophthalic acid derivatives BAYER HEALTHCARE AG (DE) 2009-03-03 — — US disclosed
EP-1572628-B1 ISOPHTALIC ACID DERIVATIVES BAYER HEALTHCARE AG (DE) 2007-07-25 — — EP disclosed
US-20060154912-A1 Isophtalic acid derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-07-13 — — US disclosed
EP-1572628-A1 ISOPHTALIC ACID DERIVATIVES Bayer HealthCare AG (DE) 2005-09-14 — — EP disclosed
WO-2004052839-A1 ISOPHTALIC ACID DERIVATIVES BAYER HEALTHCARE AG (DE) 2004-06-24 — — 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-20060154912-A1 Isophtalic acid derivatives VHL, FABP3, CPT1A SLC6A2 893/4885SLC6A4 1219/4885CHRM2 3551/4885

“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.

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