Bromide

Bromide

SCHEMBL5488575

Br.CCOc1cc2c(c(F)c1OCC)C(=N)N(CC(=O)c1cc(OCC(=O)O)cc(N3CCCC3)c1)C2

nearest known ligand 0.56

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 18)

geneUniProtsupporting neighboursconfidence
F2R P25116 6/20 0.56
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.33
GAA P10253 1/20 0.33
KDM4E B2RXH2 4/20 0.33
MAPT P10636 4/20 0.33
RAB9A P51151 3/20 0.33
NPC1 O15118 2/20 0.33
KMT2A Q03164 3/20 0.33
PTGDR Q13258 3/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ITGB3 P05106 2/20 0.32
ITGA2B P08514 2/20 0.32
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31

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 SCHEMBL1729717 0.92 F2R (0.55) F2RTSHRSMN1; SMN2GAAKDM4E
Bromide SCHEMBL1731165 0.91 F2R (0.53) F2RTSHRSMN1; SMN2GAAKDM4E
Bromide SCHEMBL1732054 0.90 F2R (0.49) F2RGAAKDM4EMAPTRAB9A
SCHEMBL1194387 0.85 F2R (0.56) F2RTSHRSMN1; SMN2GAAKDM4E
Bromide SCHEMBL6362254 0.83 F2R (0.75) F2RSMN1; SMN2GAAKDM4EMAPT
Bromide SCHEMBL5487888 0.82 F2R (0.48) F2RGAAKDM4EMAPTRAB9A
Bromide SCHEMBL1730860 0.81 F2R (0.47) F2RGAAKDM4EMAPTRAB9A
Bromide SCHEMBL1731601 0.81 F2R (0.69) F2RSMN1; SMN2GAAKDM4EMAPT
Trifluoroacetic Acid SCHEMBL1731390 0.80 F2R (0.72) F2RSMN1; SMN2GAAMAPT
Bromide SCHEMBL1730060 0.80 F2R (0.37) F2RSMN1; SMN2KDM4EMAPTRAB9A

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-7244730-B2 2-iminopyrrolidine derivatives EISAI CO., LTD (JP) 2007-07-17 US disclosed
US-20050245592-A1 2-Iminopyrrolidine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-03 US disclosed
US-20050004204-A1 2-Iminopyrrolidine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-01-06 US disclosed
EP-1391451-A1 2-IMINOPYRROLIDINE DERIVATES Eisai Co., Ltd. (JP) 2004-02-25 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-20050245592-A1 2-Iminopyrrolidine derivatives H1-2, H1-3, H1-0 F2R 2290/4885TSHR 909/4885SMN1; SMN2 2355/4885
US-20050004204-A1 2-Iminopyrrolidine derivatives H1-2, H1-3, H1-0 F2R 2289/4885TSHR 911/4885SMN1; SMN2 2369/4885

“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.