SCHEMBL1430486

SCHEMBL1430486

O=C(CCl)Nc1ncccc1F

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
HTT P42858 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
LMNA P02545 2/20 0.50
MAPT P10636 1/20 0.42
KDM4E B2RXH2 2/20 0.42
ABL1 P00519 1/20 0.42
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
HPGD P15428 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TSHR P16473 1/20 0.40
NNMT P40261 1/20 0.40
MITF O75030 1/20 0.40
RORC P51449 1/20 0.40
SLC40A1 Q9NP59 1/20 0.40
USP2 O75604 1/20 0.40

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
SCHEMBL29128709 0.88 SMN1; SMN2 (0.43) ALDH1A1HTTSMN1; SMN2LMNAMAPT
SCHEMBL30071315 0.83 ADORA3 (0.48) ALDH1A1HTTSMN1; SMN2LMNAMAPT
SCHEMBL19150948 0.83 ADORA3 (0.48) ALDH1A1HTTSMN1; SMN2LMNAMAPT
SCHEMBL16321284 0.81 RAB9A (0.58) ALDH1A1HTTSMN1; SMN2LMNANPC1
SCHEMBL23512028 0.80 KCNQ2 (0.52) HTTSMN1; SMN2MAPTABL1NPC1
SCHEMBL19116801 0.80 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2LMNAKDM4ENPC1
SCHEMBL31439510 0.79 DHODH (0.55) ALDH1A1HTTSMN1; SMN2LMNAMAPT
SCHEMBL21072239 0.78 ALDH1A1 (0.60) ALDH1A1HTTSMN1; SMN2LMNAMAPT
SCHEMBL31483834 0.78 ALDH1A1 (0.60) ALDH1A1HTTSMN1; SMN2LMNAMAPT
SCHEMBL30421216 0.77 KMT2A (0.46) ALDH1A1HTTSMN1; SMN2MAPTKDM4E

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 ALDH1A1 1452/4885HTT 3442/4885SMN1; SMN2 4555/4885
US-20130030001-A1 QUINUCLIDINE DERIVATIVES AS MUSCARINIC M3 RECEPTOR ANTAGONISTS CHRM3, CHRM2, CHRM5 ALDH1A1 1514/4885HTT 3942/4885SMN1; SMN2 4330/4885

“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.