SCHEMBL2685376

SCHEMBL2685376

O=C(CBr)Nc1ccncn1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA4 P43681 1/20 0.47
EPHX2 P34913 1/20 0.46
GAA P10253 1/20 0.44
P2RX7 Q99572 1/20 0.43
NLRP3 Q96P20 3/20 0.43
FAAH O00519 3/20 0.42
ATR Q13535 1/20 0.39
NAMPT P43490 1/20 0.39
MKNK1 Q9BUB5 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL14920768 0.84 CHRNB2 (0.51) CHRNB2CHRNB4CHRNA3CHRNA4EPHX2
SCHEMBL20924813 0.83 CHRNB2 (0.44) CHRNB2CHRNB4CHRNA3CHRNA4EPHX2
SCHEMBL4466182 0.82 P2RX7 (0.47) CHRNB2CHRNB4CHRNA3CHRNA4EPHX2
SCHEMBL1433052 0.82 P2RX7 (0.47) CHRNB2CHRNB4CHRNA3CHRNA4EPHX2
SCHEMBL6361625 0.82 SMN1; SMN2 (0.47) CHRNB2CHRNB4CHRNA3CHRNA4EPHX2
SCHEMBL19308440 0.81 TDP1 (0.55) CHRNB2CHRNB4CHRNA3CHRNA4EPHX2
SCHEMBL19177369 0.79 RAB9A (0.49) CHRNB2CHRNB4CHRNA3CHRNA4EPHX2
SCHEMBL19116526 0.78 SMN1; SMN2 (0.57) CHRNB2CHRNB4CHRNA3CHRNA4EPHX2
SCHEMBL19169610 0.78 ADORA1 (0.45) CHRNB2CHRNB4CHRNA3CHRNA4EPHX2
SCHEMBL5264810 0.77 CHRNB2 (0.55) CHRNB2CHRNB4CHRNA3CHRNA4EPHX2

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-8168654-B2 Quinuclidine derivatives binding to mucarinic M3 receptors NOVARTIS AG (CH) 2012-05-01 US disclosed
US-8084463-B2 Quinuclidine derivatives and their use as muscarinic M3 receptor antagonists NOVARTIS AG (CH) 2011-12-27 US disclosed
EP-1811999-B1 QUINUCLIDINE DERIVATIVES AND THEIR USE AS MUSCARINIC M3 RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2010-09-15 EP disclosed
EP-2206499-A1 QUINUCLIDINE DERIVATIVES AND THEIR USE AS MUSCARINIC M3 RECEPTOR ANTAGONISTS Novartis AG (CH) 2010-07-14 EP disclosed
US-20100168132-A1 QUINUCLIDINE DERIVATIVES AND THEIR USE AS MUSCARINIC M3 RECEPTOR ANTAGONISTS PRESS NEIL JOHN 2010-07-01 US disclosed
US-7723356-B2 Quinuclidine derivatives and their use as muscarinic m3 receptor antagonists NOVARTIS AG (CH) 2010-05-25 US disclosed
US-20100041887-A1 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS COLLINGWOOD STEPHEN PAUL 2010-02-18 US disclosed
EP-1631569-B1 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS NOVARTIS AG (CH) 2009-08-26 EP disclosed
US-20090048281-A1 (R)-3-(2-Cyclohexyl-2-hydroxy-2-phenyl-acetoxy)-1-(isoxazol-3-ylcarbamoylmethyl)-1-azonia-bicyclo[2.2.2] octane, useful for treating inflammatory or obstructive airways diseases NOVARTIS AG (CH) 2009-02-19 US disclosed
EP-1811999-A1 QUINUCLIDINE DERIVATIVES AND THEIR USE AS MUSCARINIC M3 RECEPTOR ANTAGONISTS Novartis AG (CH) 2007-08-01 EP disclosed
US-20070060563-A1 Quinuclidine derivatives binding to mucarinic m3 receptors NOVARTIS AG (CH) 2007-03-15 US disclosed
WO-2006048225-A1 QUINUCLIDINE DERIVATIVES AND THEIR USE AS MUSCARINIC M3 RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2006-05-11 WO disclosed
EP-1631569-A2 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS Novartis AG (CH) 2006-03-08 EP disclosed
WO-2004096800-A2 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS NOVARTIS AG (CH) 2004-11-11 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 (4 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-20070060563-A1 Quinuclidine derivatives binding to mucarinic m3 receptors CHRM3, CHRM2, CHRM1 CHRNB2 29/4885CHRNB4 30/4885CHRNA3 7/4885
US-20090048281-A1 (R)-3-(2-Cyclohexyl-2-hydroxy-2-phenyl-acetoxy)-1-(isoxazol-3-ylcarbamoylmethyl)-1-azonia-bicyclo[2.2.2] octane, useful for treating inflammatory or obstructive airways diseases CHRM3, CHRM2, CHRM1 CHRNB2 25/4885CHRNB4 79/4885CHRNA3 19/4885
US-20100168132-A1 QUINUCLIDINE DERIVATIVES AND THEIR USE AS MUSCARINIC M3 RECEPTOR ANTAGONISTS CHRM3, CHRM2, CHRM1 CHRNB2 30/4885CHRNB4 32/4885CHRNA3 7/4885
US-20100041887-A1 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS CHRM3, CHRM2, CHRM1 CHRNB2 29/4885CHRNB4 30/4885CHRNA3 7/4885

“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.