Bromide

Bromide

SCHEMBL6497625

C=CC[N+]1(C)CCN(c2nc3cc(C(F)(F)F)ccc3o2)CC1.[Br-]

nearest known ligand 0.45

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 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.45
PTGES O14684 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
HCRTR1 O43613 2/20 0.39
HCRTR2 O43614 2/20 0.39
HDAC11 Q96DB2 1/20 0.37
FAAH O00519 1/20 0.35

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 SCHEMBL7863723 0.95 CNR2 (0.44) CNR2PTGESTRPV1HCRTR1HCRTR2
Bromide SCHEMBL6488073 0.86 PIK3CB (0.38) TRPV1FAAH
Iodide SCHEMBL6501966 0.82 PTGES (0.46) PTGESTRPV1
Bromide SCHEMBL6488179 0.79 KDM4E (0.41)
Hydrochloric Acid SCHEMBL7305474 0.79 SORD (0.47)
Iodide SCHEMBL7307306 0.79 SORD (0.47) HCRTR1HCRTR2
Iodide SCHEMBL7307948 0.78 PRKDC (0.38) TRPV1FAAH
SCHEMBL6485721 0.76 CNR2 (0.56) CNR2PTGESTRPV1HCRTR1HCRTR2
Bromide SCHEMBL6486610 0.76 TRPV1 (0.35) PTGESTRPV1
Iodide SCHEMBL7304275 0.75 SORD (0.44) HCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6867226-B2 Serotonin 5-HT3 receptor partial activator MEIJI SEIKA KAISHA, LTD. (JP) 2005-03-15 US disclosed
US-6552057-B2 In addition to 5-HT3 receptor antagonism, and inhibiting diarrhea without causing constipation as side effect; benzoxazole derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2003-04-22 US disclosed
EP-0806419-B1 Benzoxazole derivatives as serotonin 5-HT3 receptor partial activator MEIJI SEIKA KAISHA (JP) 2003-04-02 EP disclosed
US-20030013730-A1 Serotonin 5-HT3 receptor partial activator MEIJI SEIKA KAISHA, LTD. 2003-01-16 US disclosed
US-6333328-B1 MIXING BENZOXAZOLE DERIVATIVE WITH CARRIER TO FORM ACTIVATOR COMPOUND MEIJI SEIKA KAISHA, LTD. (JP) 2001-12-25 US disclosed
US-6297246-B1 BENZOXAZOLE DERIVATIVES; DOES NOT CAUSE CONSTIPATION AS A SIDE EFFECT. MEIJI SEIKA KAISHA LTD. (JP) 2001-10-02 US disclosed
US-20010016579-A1 Serotonin 5-HT, receptor partial activator LOTUS PHARMACEUTICAL CO., LTD. (JP) 2001-08-23 US disclosed
US-6037342-A BENZOXAZOLE DERIVATIVES HAVING STRONG SEROTONIN 5-HT.SUB.3 RECEPTOR ANTAGONISM; TREATING FUNCTIONAL DISORDERS OF DIGESTIVE ORGANS MEIJI SEIKA KAISHA, LTD (JP) 2000-03-14 US disclosed
EP-0806419-A1 Benzoxazole derivatives as serotonin 5-HT3 receptor partial activator MEIJI SEIKA KAISHA LTD. (JP) 1997-11-12 EP 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 (2 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-20010016579-A1 Serotonin 5-HT, receptor partial activator HTR7, HTR1A, HTR3A CNR2 57/4885PTGES 2198/4885TRPV1 119/4885
US-20030013730-A1 Serotonin 5-HT3 receptor partial activator HTR7, HTR3A, HTR1A CNR2 66/4885PTGES 2443/4885TRPV1 123/4885

“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.