Bromide

Bromide

SCHEMBL1729548

Br.CCOc1cc2c(c(F)c1OCC)C(=N)N(CC(=O)c1cc(N3CCOCC3)c(OCC)c(C(C)(C)C)c1)C2

nearest known ligand 0.93

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 12)

geneUniProtsupporting neighboursconfidence
F2R P25116 12/20 0.93
GAA P10253 1/20 0.37
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 4/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
KDM4E B2RXH2 2/20 0.35
LMNA P02545 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 1/20 0.34

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
Atopaxar SCHEMBL30008036 0.96 F2R (1.00) F2RGAATP53POLBALDH1A1
Atopaxar SCHEMBL1728925 0.96 F2R (1.00) F2RGAATP53POLBALDH1A1
Atopaxar SCHEMBL29904776 0.96 F2R (1.00) F2RGAATP53POLBALDH1A1
Bromide SCHEMBL1730058 0.96 F2R (0.88) F2RGAATP53POLBALDH1A1
Bromide SCHEMBL5493294 0.96 F2R (0.85) F2RGAATP53POLBALDH1A1
Atopaxar SCHEMBL1730339 0.95 F2R (1.00) F2RGAATP53POLBALDH1A1
Atopaxar SCHEMBL30175034 0.95 F2R (1.00) F2RGAATP53POLBALDH1A1
Atopaxar SCHEMBL1729065 0.95 F2R (0.98) F2RGAATP53POLBALDH1A1
Bromide SCHEMBL1729715 0.94 F2R (0.84) F2RGAATP53POLBALDH1A1
SCHEMBL8040907 0.93 F2R (0.85) F2RGAATP53POLBALDH1A1

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
EP-1391451-B1 2-IMINOPYRROLIDINE DERIVATES EISAI R&D MAN CO LTD (JP) 2011-11-23 EP disclosed
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

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 2290/4885GAA 4867/4885TP53 2345/4885
US-20050004204-A1 2-Iminopyrrolidine derivatives H1-2, H1-3, H1-0 F2R 2289/4885GAA 4868/4885TP53 2322/4885

“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.