Bromide

Bromide

SCHEMBL142045

C[N+]1(C)C2CCC1CC(C=C(c1ccccc1)c1ccccn1)C2.[Br-]

nearest known ligand 0.73

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1

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
CHRM3 known ✓ P20309 9/20 0.73
CHRM1 known ✓ P11229 6/20 0.50
CHRM2 known ✓ P08172 5/20 0.50
APOBEC3A P31941 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
KMT2A Q03164 2/20 0.37
LMNA P02545 4/20 0.36
ADRA2B P18089 1/20 0.36
SLC6A4 P31645 1/20 0.36
ADRA1A P35348 1/20 0.36
HRH1 P35367 1/20 0.36
OPRK1 P41145 1/20 0.36
KCNH2 Q12809 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
THPO P40225 1/20 0.36
TDP1 Q9NUW8 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
Bromide SCHEMBL142044 1.00 CHRM3 (0.73) CHRM3CHRM1CHRM2APOBEC3AAPOBEC3G
Bromide SCHEMBL141731 0.85 CHRM3 (1.00) CHRM3CHRM1CHRM2APOBEC3AAPOBEC3G
Bromide SCHEMBL141730 0.85 CHRM3 (1.00) CHRM3CHRM1CHRM2APOBEC3AAPOBEC3G
Bromide SCHEMBL3911327 0.83 CHRM3 (0.50) CHRM3CHRM1CHRM2APOBEC3AAPOBEC3G
Bromide SCHEMBL4166137 0.80 CHRM3 (0.88) CHRM3CHRM1CHRM2APOBEC3AAPOBEC3G
Bromide SCHEMBL4166138 0.80 CHRM3 (0.88) CHRM3CHRM1CHRM2APOBEC3AAPOBEC3G
Bromide SCHEMBL143848 0.75 CHRM3 (0.83) CHRM3CHRM1CHRM2APOBEC3AAPOBEC3G
Bromide SCHEMBL143847 0.75 CHRM3 (0.83) CHRM3CHRM1CHRM2APOBEC3AAPOBEC3G
Bromide SCHEMBL244458 0.74 CHRM3 (0.40) CHRM3CHRM1KMT2ALMNAADRA2B
Bromide SCHEMBL5039534 0.73 CHRM3 (0.74) CHRM3CHRM1CHRM2APOBEC3AAPOBEC3G

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 237 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060178395-A1 Muscarinic acetylcholine receptor antagonists GLAXO GROUP LIMITED (GB) 2006-08-10 US claimed
US-11555040-B2 Oxepinopyrazole derivatives as inhibitors of P13-kinase activity GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-01-17 US disclosed
US-20220324875-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-10-13 US disclosed
CN-110785420-B Oxazepin derivatives as inhibitors of PI 3-kinase activity 葛兰素史克知识产权开发有限公司 2022-04-26 CN disclosed
EP-3612536-B1 OXEPINOPYRAZOLE DERIVATIVES AS INHIBITORS OF PI3-KINASE ACTIVITY GLAXOSMITHKLINE IP DEV LTD (GB) 2021-12-15 EP disclosed
EP-3260453-B1 OXAZOLE SUBSTITUTED INDAZOLES AS PI3-KINASE INHIBITORS GLAXO GROUP LTD (GB) 2021-03-31 EP disclosed
US-10946025-B2 Compounds GLAXO GROUP LIMITED (GB) 2021-03-16 US disclosed
US-10793559-B2 Chemical compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-10-06 US disclosed
US-20200206237-A1 NOVEL COMPOUNDS GLAXO GROUP LTD (GB) 2020-07-02 US disclosed
US-10624898-B2 Compounds GLAXO GROUP LIMITED (GB) 2020-04-21 US disclosed
EP-1756120-A1 PURINE DERIVATIVE GLAXO GROUP LIMITED (GB) 2007-02-28 EP disclosed
US-20070043007-A1 Specific glucocorticosteroid compounds having anti-inflammatory activity GLAXO GROUP LIMITED (GB) 2007-02-22 US disclosed
US-20060293298-A1 Compounds GLAXO GROUP LIMITED (GB) 2006-12-28 US disclosed
US-20060247219-A1 Specific glucocorticosteriod compound having anti-inflamatory activity GLAXO GROUP LIMITED (GB) 2006-11-02 US disclosed
US-20060235029-A1 Novel compounds GLAXO GROUP LIMITED (GB) 2006-10-19 US disclosed
US-20060235030-A1 Novel compounds GLAXO GROUP LIMITED (GB) 2006-10-19 US disclosed
US-20060178395-A1 Muscarinic acetylcholine receptor antagonists GLAXO GROUP LIMITED (GB) 2006-08-10 US disclosed
WO-2006062883-A2 MEDICAL COMBINATIONS SMITHKLINE BEECHAM CORPORATION (US) 2006-06-15 WO disclosed
US-20060019964-A1 Antiallergens; antiinflammatory agents; rhinitis; serotonin receptor antagonist GLAXO GROUP LIMITED (GB) 2006-01-26 US disclosed
WO-2005116037-A1 PURINE DERIVATIVE GLAXO GROUP LIMITED (GB) 2005-12-08 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 (13 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-10793559-B2 Chemical compounds PIK3CA, PIK3CD, PIK3C2B CHRM3 3771/4885CHRM1 4169/4885CHRM2 4440/4885
US-10624898-B2 Compounds PIK3CA, PIK3CD, PIK3C3 CHRM3 4030/4885CHRM1 4207/4885CHRM2 4500/4885
US-20220324875-A1 CHEMICAL COMPOUNDS PIK3CA, PIK3CD, PIK3CB CHRM3 4065/4885CHRM1 4329/4885CHRM2 4667/4885
US-20060293298-A1 Compounds NQO1, OPRM1, CAT CHRM3 1901/4885CHRM1 1558/4885CHRM2 2314/4885
US-10946025-B2 Compounds PIK3CA, PIK3CD, PIK3C3 CHRM3 4030/4885CHRM1 4207/4885CHRM2 4500/4885
US-20060235030-A1 Novel compounds MAPKAPK2, MAPKAPK3, CDC42BPB CHRM3 3764/4885CHRM1 4447/4885CHRM2 4617/4885
US-20060178395-A1 Muscarinic acetylcholine receptor antagonists CHRM3, CHRNG, CHRM2 CHRM3 1/4885CHRM1 19/4885CHRM2 3/4885
US-20060247219-A1 Specific glucocorticosteriod compound having anti-inflamatory activity NR3C1, NR3C2, MC2R CHRM3 225/4885CHRM1 135/4885CHRM2 280/4885
US-20070043007-A1 Specific glucocorticosteroid compounds having anti-inflammatory activity NR3C2, NR3C1, NR5A1 CHRM3 737/4885CHRM1 1415/4885CHRM2 1488/4885
US-20060235029-A1 Novel compounds MAPKAPK2, CDC42BPB, MAPK8 CHRM3 3446/4885CHRM1 4288/4885CHRM2 4347/4885
US-20060019964-A1 Antiallergens; antiinflammatory agents; rhinitis; serotonin receptor antagonist HRH2, HRH4, HRH1 CHRM3 734/4885CHRM1 1028/4885CHRM2 1361/4885
US-11555040-B2 Oxepinopyrazole derivatives as inhibitors of P13-kinase activity CDK3, CDK13, AKT3 CHRM3 1182/4885CHRM1 1223/4885CHRM2 1917/4885
US-20200206237-A1 NOVEL COMPOUNDS PIK3CA, PIK3CD, PIK3C2B CHRM3 4226/4885CHRM1 4260/4885CHRM2 4504/4885

“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.