Bromide

Bromide

SCHEMBL5490807

Br.CCOC(=O)CCCCOc1c(N2CCCC2)cc(C(=O)CN2Cc3ccc(C4CC4)nc3C2=N)cc1C(C)(C)C

nearest known ligand 0.47

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 14/20 0.47
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
PDE4A P27815 2/20 0.30
PDE4B Q07343 2/20 0.30
PDE4C Q08493 2/20 0.30
PDE4D Q08499 2/20 0.30
RARA P10276 1/20 0.30
RARB P10826 1/20 0.30
RARG P13631 1/20 0.30

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 SCHEMBL1729864 0.99 F2R (0.47) F2RALOX5APFEN1PDE3BPDE3A
Bromide SCHEMBL1730556 0.93 F2R (0.54) F2RALOX5APFEN1PDE3BPDE3A
Bromide SCHEMBL1731954 0.93 F2R (0.46) F2RALOX5APFEN1PDE3BPDE3A
Bromide SCHEMBL5494390 0.92 F2R (0.44) F2RRARARARBRARG
Bromide SCHEMBL5487978 0.91 F2R (0.43) F2RRARARARBRARG
SCHEMBL12151717 0.91 F2R (0.43) F2RRARARARBRARG
Bromide SCHEMBL1731882 0.91 F2R (0.46) F2R
Bromide SCHEMBL1731916 0.91 F2R (0.45) F2RRARARARBRARG
Bromide SCHEMBL1732553 0.90 F2R (0.44) F2RRARARARBRARG
Trifluoroacetic Acid SCHEMBL4262444 0.88 F2R (0.42) F2RRARARARBRARG

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 3 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

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 2290/4885ALOX5AP 4068/4885FEN1 4735/4885
US-20050004204-A1 2-Iminopyrrolidine derivatives H1-2, H1-3, H1-0 F2R 2289/4885ALOX5AP 4074/4885FEN1 4731/4885

“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.