Bromide

Bromide

SCHEMBL1732131

Br.COc1cc2c(c(F)c1OC)C(=N)N(CC(=O)c1cc(OCCCc3nccs3)c(OCCCC(=O)O)c(C(C)(C)C)c1)C2

nearest known ligand 0.53

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 3)

geneUniProtsupporting neighboursconfidence
F2R P25116 15/20 0.53
HCRTR2 O43614 1/20 0.31
STING1 Q86WV6 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 SCHEMBL1730517 0.99 F2R (0.52) F2RHCRTR2
Bromide SCHEMBL1732143 0.92 F2R (0.56) F2R
Bromide SCHEMBL5484855 0.91 F2R (0.60) F2RSTING1
Bromide SCHEMBL5485994 0.89 F2R (0.59) F2RSTING1
Bromide SCHEMBL5490749 0.88 F2R (0.53) F2RHCRTR2STING1
Bromide SCHEMBL1730541 0.87 F2R (0.52) F2RHCRTR2STING1
Bromide SCHEMBL1732011 0.86 F2R (0.58) F2RSTING1
Bromide SCHEMBL1730033 0.86 F2R (0.68) F2RSTING1
Bromide SCHEMBL1729924 0.85 F2R (0.55) F2R
Bromide SCHEMBL1732080 0.85 F2R (0.56) F2RSTING1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1973407-B1 SPIRO COMPOUNDS AND METHODS OF USE CHEN GUOQING PAUL (US) 2011-11-23 EP claimed
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
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 2290/4885HCRTR2 141/4885STING1 4502/4885
US-20050004204-A1 2-Iminopyrrolidine derivatives H1-2, H1-3, H1-0 F2R 2289/4885HCRTR2 149/4885STING1 4481/4885

“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.