Bromide

Bromide

SCHEMBL4222944

Br.Cc1ccc(-c2ccc3c(C(=O)N4CCN5CCC4CC5)n[nH]c3c2)s1

nearest known ligand 0.38

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 14)

geneUniProtsupporting neighboursconfidence
▸ UGCG Q16739 5/20 0.38
▸ ABL1 P00519 2/20 0.37
▸ BCR P11274 2/20 0.37
▸ GSK3B P49841 2/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ RBP4 P02753 2/20 0.36
▸ CHRNA7 P36544 2/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ GSK3A P49840 1/20 0.35
▸ USP30 Q70CQ3 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35

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
SCHEMBL4261851 0.92 DYRK1A (0.43) UGCGGSK3BDYRK1A
SCHEMBL1572745 0.86 GSK3B (0.43) UGCGABL1BCRGSK3BDYRK1A
SCHEMBL1572482 0.84 CDK2 (0.52) GSK3BRBP4CHRNA7CDK2GSK3A
SCHEMBL1572497 0.82 HAO1 (0.39) UGCGABL1BCRGSK3BDYRK1A
SCHEMBL12715360 0.80 CHRNA7 (0.41) UGCGGSK3BRBP4CHRNA7CDK2
SCHEMBL1636591 0.80 USP30 (0.36) UGCGABL1BCRDYRK1ARBP4
SCHEMBL1572454 0.80 CHEK1 (0.40) UGCGABL1BCRGSK3BCHRNA7
SCHEMBL12715304 0.79 UGCG (0.51) UGCGGSK3BRBP4CHRNA7
SCHEMBL1573168 0.79 UGCG (0.51) UGCGGSK3BRBP4CHRNA7
Bromide SCHEMBL3862357 0.79 MAPT (0.41) UGCGABL1BCRRBP4CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524706-B2 1,4-diazabicyclo[3.2.2]nonanecarboxamide derivatives, preparation and therapeutic use thereof SANOFI (FR) 2013-09-03 — — US disclosed
US-20090054416-A1 1,4-Diazabicyclo[3.2.2]nonanecarboxamide Derivatives, Preparation and Therapeutic Use Thereof SANOFI-AVENTIS (FR) 2009-02-26 — — US disclosed
US-7456171-B2 1,4-Diazabicyclo[3.2.2]nonanecarboxamide derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2008-11-25 — — US disclosed
US-20050182062-A1 1,4-Diazabicyclo[3.2.2]nonanecarboxamide derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2005-08-18 — — 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-20090054416-A1 1,4-Diazabicyclo[3.2.2]nonanecarboxamide Derivatives, Preparation and Therapeutic Use Thereof CNR1, CNR2, CACNA1A UGCG 1634/4885ABL1 1975/4885BCR 2112/4885
US-20050182062-A1 1,4-Diazabicyclo[3.2.2]nonanecarboxamide derivatives, preparation and therapeutic use thereof CNR1, CNR2, CBR3 UGCG 2490/4885ABL1 946/4885BCR 1408/4885

“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.

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