Bromide

Bromide

SCHEMBL1897567

Br.Cc1cc2nc(CN(Cc3ccc(CNCc4ccccn4)cc3)C3CCCc4cccnc43)[nH]c2cc1C

nearest known ligand 0.81

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 7)

geneUniProtsupporting neighboursconfidence
CHRM2 known ✓ P08172 1/20 0.51
CXCR4 P61073 20/20 0.81
CYP2D6 P10635 2/20 0.59
CYP3A4 P08684 1/20 0.59
DRD2 P14416 1/20 0.51
OPRM1 P35372 1/20 0.51
KCNH2 Q12809 1/20 0.51

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
SCHEMBL2507349 0.99 CXCR4 (0.83) CXCR4CYP2D6CYP3A4CHRM2DRD2
SCHEMBL29823655 0.99 CXCR4 (0.83) CXCR4CYP2D6CYP3A4CHRM2DRD2
SCHEMBL28435964 0.93 CXCR4 (0.73) CXCR4CYP2D6CYP3A4CHRM2DRD2
SCHEMBL29859912 0.93 CXCR4 (0.73) CXCR4CYP2D6CYP3A4CHRM2DRD2
Bromide SCHEMBL4544117 0.91 CXCR4 (0.98) CXCR4CYP2D6CYP3A4CHRM2DRD2
SCHEMBL1878773 0.90 CXCR4 (1.00) CXCR4CYP2D6CYP3A4CHRM2DRD2
SCHEMBL29823518 0.90 CXCR4 (1.00) CXCR4CYP2D6CYP3A4CHRM2DRD2
Bromide SCHEMBL5140263 0.89 CXCR4 (0.83) CXCR4CYP2D6CYP3A4CHRM2DRD2
SCHEMBL13909537 0.89 CXCR4 (0.83) CXCR4CYP2D6CYP3A4CHRM2DRD2
SCHEMBL13909797 0.88 CXCR4 (0.79) CXCR4CYP2D6CYP3A4CHRM2DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7935692-B2 Methods to mobilize progenitor/stem cells GENZYME CORPORATION (US) 2011-05-03 US claimed
US-20150246019-A1 METHODS TO MOBILIZE PROGENITOR/STEM CELLS GENZYME CORP (US) 2015-09-03 US disclosed
US-20130273009-A1 METHODS TO MOBILIZE PROGENITOR/STEM CELLS GENZYME CORPORATION 2013-10-17 US disclosed
US-20110129448-A1 METHODS TO MOBILIZE PROGENITOR/STEM CELLS GENZYME CORPORATION (US) 2011-06-02 US disclosed
US-7935692-B2 Methods to mobilize progenitor/stem cells GENZYME CORPORATION (US) 2011-05-03 US disclosed
US-7897590-B2 administering compounds which bind to the chemokine receptors, such as 1,1'-[1,4-phenylene-bis-(methylene)]-bis-1,4,8,11-tetraazacyclotetradecane, optionally with colony stimulating factors, to effect regeneration of dead myocardium ; FDA Orange book listed patent for Plerixafor GENZYME CORPORATION (US) 2011-03-01 US disclosed
US-20100178271-A1 Combination Therapy GENZYME CORPORATION (US) 2010-07-15 US disclosed
US-7629337-B2 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION (US) 2009-12-08 US disclosed
US-20060264434-A1 Chemokine receptor binding heterocyclic compounds ANORMED INC. (CA) 2006-11-23 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 (5 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-20060264434-A1 Chemokine receptor binding heterocyclic compounds CCR5, CXCR4, CXCR1 CHRM2 291/4885CXCR4 2/4885CYP2D6 934/4885
US-20110129448-A1 METHODS TO MOBILIZE PROGENITOR/STEM CELLS CXCR4, CXCL12, CCR2 CHRM2 607/4885CXCR4 1/4885CYP2D6 4259/4885
US-20130273009-A1 METHODS TO MOBILIZE PROGENITOR/STEM CELLS CXCL12, CXCR4, CXCR1 CHRM2 1642/4885CXCR4 2/4885CYP2D6 4722/4885
US-20150246019-A1 METHODS TO MOBILIZE PROGENITOR/STEM CELLS CXCR4, CXCL12, CCR2 CHRM2 607/4885CXCR4 1/4885CYP2D6 4259/4885
US-20100178271-A1 Combination Therapy CXCL12, CSF3R, CXCR4 CHRM2 3149/4885CXCR4 3/4885CYP2D6 4760/4885

“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.