Bromide

Bromide

SCHEMBL1730579

Br.CCOc1c(C)nc2c(c1C)CN(CC(=O)c1ccc(N3CCCC3)c(C(C)(C)C)c1)C2=N

nearest known ligand 0.42

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 20)

geneUniProtsupporting neighboursconfidence
F2R P25116 7/20 0.42
RARA P10276 3/20 0.36
RARB P10826 3/20 0.36
RARG P13631 3/20 0.36
TAAR1 Q96RJ0 1/20 0.36
MAPT P10636 4/20 0.33
CYP1A2 P05177 1/20 0.33
GAA P10253 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 3/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 3/20 0.32
NPC1 O15118 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GBA1 P04062 1/20 0.32

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 SCHEMBL1731229 0.88 F2R (0.39) F2RMAPTRAB9ANPC1
SCHEMBL6544585 0.87 F2R (0.38) F2RMAPTRAB9ANPC1
Bromide SCHEMBL1729039 0.85 F2R (0.41) F2RMEN1KMT2A
Bromide SCHEMBL5490223 0.85 F2R (0.40) F2RMAPTALDH1A1RAB9ANPC1
Bromide SCHEMBL1729409 0.84 F2R (0.39) F2RMAPTCYP2C19RAB9ANPC1
SCHEMBL14449071 0.84 F2R (0.41) F2RMEN1KMT2A
Hydrochloric Acid SCHEMBL1730808 0.83 F2R (0.41) F2RMEN1KMT2A
Bromide SCHEMBL1730730 0.83 F2R (0.36) F2RNPC1
Bromide SCHEMBL1729928 0.83 F2R (0.38) F2R
Bromide SCHEMBL1730960 0.83 F2R (0.40) F2R

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 5 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
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 2290/4885RARA 2536/4885RARB 2657/4885
US-20050004204-A1 2-Iminopyrrolidine derivatives H1-2, H1-3, H1-0 F2R 2289/4885RARA 2540/4885RARB 2647/4885

“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.