SCHEMBL2945503

SCHEMBL2945503

N#CC(O)C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.53
CCR3 P51677 1/20 0.51
SIGMAR1 Q99720 1/20 0.50
HRH3 Q9Y5N1 1/20 0.49
DRD2 P14416 2/20 0.49
DRD4 P21917 2/20 0.49
DRD3 P35462 2/20 0.49
CXCR4 P61073 1/20 0.49
OPRM1 P35372 1/20 0.49
BCHE P06276 1/20 0.48
BACE1 P56817 1/20 0.48

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
SCHEMBL11446808 0.91 ALDH1A1 (0.49) ACHECCR3HRH3BCHEBACE1
SCHEMBL19450643 0.82 ACHE (0.61) ACHECCR3SIGMAR1DRD2DRD4
SCHEMBL11329117 0.81 SIGMAR1 (0.50) ACHESIGMAR1OPRM1
Hydrochloric Acid SCHEMBL9218904 0.81 ACHE (0.55) ACHECCR3SIGMAR1HRH3DRD2
SCHEMBL4528662 0.81 ACHE (0.51) ACHECCR3SIGMAR1HRH3DRD2
Hydrochloric Acid SCHEMBL7017742 0.80 ACHE (0.49) ACHESIGMAR1OPRM1BCHE
SCHEMBL7651915 0.80 ACHE (0.62) ACHECCR3SIGMAR1DRD2DRD4
SCHEMBL19770184 0.80 ACHE (0.62) ACHECCR3SIGMAR1DRD2DRD4
SCHEMBL14046072 0.79 ACHE (0.50) ACHECCR3SIGMAR1HRH3DRD2
SCHEMBL5228400 0.78 ACHE (0.60) ACHECCR3SIGMAR1DRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7759340-B2 Antibacterial agents GLAXO GROUP LIMITED (GB) 2010-07-20 US disclosed
US-7759340-B2 Antibacterial agents GLAXO GROUP LIMITED (GB) 2010-07-20 US disclosed
US-7759340-B2 Antibacterial agents GLAXO GROUP LIMITED (GB) 2010-07-20 US disclosed
US-20090181955-A1 Antibacterial Agents MILLER WILLIAM HENRY 2009-07-16 US disclosed
US-20090181955-A1 Antibacterial Agents MILLER WILLIAM HENRY 2009-07-16 US disclosed
US-20090181955-A1 Antibacterial Agents MILLER WILLIAM HENRY 2009-07-16 US disclosed
US-7511035-B2 Antibacterial agents GLAXO GROUP LIMITED (GB) 2009-03-31 US disclosed
US-7511035-B2 Antibacterial agents GLAXO GROUP LIMITED (GB) 2009-03-31 US disclosed
US-7511035-B2 Antibacterial agents GLAXO GROUP LIMITED (GB) 2009-03-31 US disclosed
US-20080139539-A1 Antibacterial Agents GLAXO GROUP LIMITED (GB) 2008-06-12 US disclosed
US-20080139539-A1 Antibacterial Agents GLAXO GROUP LIMITED (GB) 2008-06-12 US disclosed
US-20080139539-A1 Antibacterial Agents GLAXO GROUP LIMITED (GB) 2008-06-12 US disclosed
EP-1846411-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2007-10-24 EP disclosed
WO-2006081289-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2006-08-03 WO 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-20080139539-A1 Antibacterial Agents NQO2, NQO1, NRDC ACHE 1674/4885CCR3 4404/4885SIGMAR1 971/4885
US-20090181955-A1 Antibacterial Agents NQO2, NQO1, NRDC ACHE 1674/4885CCR3 4404/4885SIGMAR1 971/4885

“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.