Bromide

Bromide

SCHEMBL1729181

Br.CCOC(=O)C1(c2cccc(C(=O)CN3Cc4cc(OCC)c(C(=O)NC)cc4C3=N)c2)CCCC1

nearest known ligand 0.37

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
SLC6A4 known ✓ P31645 1/20 0.35
ADRA1A known ✓ P35348 1/20 0.35
KDM4E B2RXH2 3/20 0.37
MAPT P10636 2/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
OPRM1 P35372 7/20 0.35
OPRD1 P41143 4/20 0.35
OPRK1 P41145 4/20 0.35
SLC22A1 O15245 1/20 0.35
KCNH2 Q12809 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
F2 P00734 1/20 0.34
F10 P00742 1/20 0.34
PLG P00747 1/20 0.34
PRSS1 P07477 1/20 0.34
F2R P25116 3/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 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
Hydrochloric Acid SCHEMBL1731062 0.91 MAPT (0.39) KDM4EMAPTRAB9ANPC1SMN1; SMN2
Bromide SCHEMBL1730853 0.83 MAPT (0.51) KDM4EMAPTRAB9ANPC1SMN1; SMN2
Bromide SCHEMBL1729176 0.81 MAPT (0.45) KDM4EMAPTRAB9ANPC1SMN1; SMN2
Bromide SCHEMBL1729276 0.81 MAPT (0.41) KDM4EMAPTRAB9ANPC1SMN1; SMN2
Bromide SCHEMBL1731005 0.81 MAPT (0.42) KDM4EMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL5488310 0.81 MAPT (0.44) KDM4EMAPTRAB9ANPC1SMN1; SMN2
Bromide SCHEMBL1731550 0.80 MAPT (0.40) KDM4EMAPTRAB9ANPC1SMN1; SMN2
Bromide SCHEMBL5483132 0.80 F2R (0.51) KDM4EMAPTOPRM1OPRD1OPRK1
SCHEMBL1729487 0.79 F2R (0.51) KDM4EMAPTOPRM1OPRD1OPRK1
Bromide SCHEMBL1731985 0.79 MAPT (0.42) KDM4EMAPTRAB9ANPC1SMN1; SMN2

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 SLC6A4 1452/4885ADRA1A 100/4885KDM4E 3161/4885
US-20050004204-A1 2-Iminopyrrolidine derivatives H1-2, H1-3, H1-0 SLC6A4 1461/4885ADRA1A 102/4885KDM4E 3132/4885

“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.