Bromide

Bromide

SCHEMBL1732447

Br.CCOc1cc2c(c(F)c1OCC)C(=N)N(CC(=O)c1ccc(OCCCC#N)c(C(C)(C)C)c1)C2

nearest known ligand 0.62

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 11)

geneUniProtsupporting neighboursconfidence
F2R P25116 11/20 0.62
THRA P10827 2/20 0.38
THRB P10828 2/20 0.38
KDM4E B2RXH2 2/20 0.32
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
LMNA P02545 1/20 0.30
GLA P06280 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 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 SCHEMBL1732721 0.92 F2R (0.67) F2RTHRATHRB
Bromide SCHEMBL1729942 0.92 F2R (0.65) F2RTHRATHRBKDM4ERAB9A
Bromide SCHEMBL1728949 0.90 F2R (0.72) F2RKDM4ERAB9ANPC1MAPT
Bromide SCHEMBL5490724 0.90 F2R (0.64) F2R
SCHEMBL14449145 0.89 F2R (0.70) F2RKDM4ERAB9ANPC1MAPT
Bromide SCHEMBL1729758 0.89 F2R (0.61) F2RTHRATHRBKDM4ERAB9A
Bromide SCHEMBL1732032 0.88 F2R (0.63) F2R
Bromide SCHEMBL1730599 0.88 F2R (0.63) F2R
Bromide SCHEMBL1729678 0.88 F2R (0.62) F2R
Bromide SCHEMBL1730529 0.87 F2R (0.64) F2RTHRATHRBKDM4ERAB9A

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 10 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-1973407-A2 SPIRO COMPOUNDS AND METHODS OF USE Chen, Guoqing Paul (US) 2008-10-01 EP claimed
WO-2007084875-A2 SPIRO COMPOUNDS AND METHODS OF USE CHEN GUOQING PAUL (US) 2007-07-26 WO claimed
EP-1973407-B1 SPIRO COMPOUNDS AND METHODS OF USE CHEN GUOQING PAUL (US) 2011-11-23 EP disclosed
EP-1391451-B1 2-IMINOPYRROLIDINE DERIVATES EISAI R&D MAN CO LTD (JP) 2011-11-23 EP disclosed
EP-1973407-A2 SPIRO COMPOUNDS AND METHODS OF USE Chen, Guoqing Paul (US) 2008-10-01 EP disclosed
WO-2007084875-A2 SPIRO COMPOUNDS AND METHODS OF USE CHEN GUOQING PAUL (US) 2007-07-26 WO 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 2290/4885THRA 2030/4885THRB 2315/4885
US-20050004204-A1 2-Iminopyrrolidine derivatives H1-2, H1-3, H1-0 F2R 2289/4885THRA 2034/4885THRB 2297/4885

“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.