SCHEMBL1428229

SCHEMBL1428229

O=C(CBr)Nc1ccc(C(F)(F)F)nn1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 1/20 0.39
CHRM3 P20309 1/20 0.36
GLS O94925 3/20 0.35
PTPN1 P18031 1/20 0.34
GSK3B P49841 1/20 0.34
GAA P10253 1/20 0.34
LMNA P02545 1/20 0.34
P2RX7 Q99572 1/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
IDO1 P14902 1/20 0.33
TSHR P16473 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
SCHEMBL24120003 0.84 ATM (0.42) CSF1RCHRM3GAATSHR
SCHEMBL2189033 0.75 SORT1 (0.48) GLSGAALMNATSHR
SCHEMBL1040807 0.75 GAA (0.46) GLSGAALMNA
SCHEMBL10841785 0.74 TP53 (0.44) GAAIDO1TSHR
SCHEMBL17346731 0.74 CHRM1 (0.40) CSF1RCHRM3GLS
SCHEMBL30037304 0.71 P2RX7 (0.37) GAALMNAP2RX7
SCHEMBL30038117 0.71 LMNA (0.47) GAALMNAP2RX7
SCHEMBL25037178 0.71 LMNA (0.47) GAALMNAP2RX7
SCHEMBL25037246 0.71 P2RX7 (0.37) GAALMNAP2RX7
SCHEMBL4296217 0.70 CACNA1H (0.52) CSF1RGLS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130030001-A1 QUINUCLIDINE DERIVATIVES AS MUSCARINIC M3 RECEPTOR ANTAGONISTS PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2013-01-31 US disclosed
US-20130030001-A1 QUINUCLIDINE DERIVATIVES AS MUSCARINIC M3 RECEPTOR ANTAGONISTS PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2013-01-31 US disclosed
US-8329729-B2 Quinuclidine derivatives as muscarinic M3 receptor antagonists ASTRAZENECA AB (SE) 2012-12-11 US disclosed
US-8329729-B2 Quinuclidine derivatives as muscarinic M3 receptor antagonists ASTRAZENECA AB (SE) 2012-12-11 US disclosed
US-20110172237-A1 QUINUCLIDINE DERIVATIVES AS MUSCARINIC M3 RECEPTOR ANTAGONISTS ASTRAZENECA UK LIMITED (GB) 2011-07-14 US disclosed
US-20110172237-A1 QUINUCLIDINE DERIVATIVES AS MUSCARINIC M3 RECEPTOR ANTAGONISTS ASTRAZENECA UK LIMITED (GB) 2011-07-14 US disclosed
CN-102089304-A Quinuclidine derivatives as M3 muscarinic receptor antagonists ASTRAZENECA AB 2011-06-08 CN disclosed
EP-2300464-A1 QUINUCLIDINE DERIVATIVES AS MUSCARINIC M3 RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2011-03-30 EP disclosed
WO-2009138707-A9 QUINUCLIDINE DERIVATIVES AS MUSCARINIC M3 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2010-01-28 WO disclosed
WO-2009138707-A9 QUINUCLIDINE DERIVATIVES AS MUSCARINIC M3 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2010-01-28 WO disclosed
WO-2009138707-A1 QUINUCLIDINE DERIVATIVES AS MUSCARINIC M3 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2009-11-19 WO disclosed
WO-2009138707-A1 QUINUCLIDINE DERIVATIVES AS MUSCARINIC M3 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2009-11-19 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-20110172237-A1 QUINUCLIDINE DERIVATIVES AS MUSCARINIC M3 RECEPTOR ANTAGONISTS CHRM3, CHRM2, CHRM1 CSF1R 150/4885CHRM3 1/4885GLS 3595/4885
US-20130030001-A1 QUINUCLIDINE DERIVATIVES AS MUSCARINIC M3 RECEPTOR ANTAGONISTS CHRM3, CHRM2, CHRM5 CSF1R 266/4885CHRM3 1/4885GLS 3462/4885

“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.