SCHEMBL1428795

SCHEMBL1428795

Cc1nccc(NC(=O)CCl)n1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SORT1 Q99523 4/20 0.52
ALDH1A1 P00352 7/20 0.49
EGFR P00533 2/20 0.49
GAA P10253 1/20 0.49
LMNA P02545 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
HTT P42858 3/20 0.47
KDM4E B2RXH2 2/20 0.47
GRM5 P41594 1/20 0.42
RIPK1 Q13546 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL18900166 0.85 SORT1 (0.50) SORT1ALDH1A1LMNASMN1; SMN2GRM5
SCHEMBL17202119 0.81 ALDH1A1 (0.45) ALDH1A1EGFRGAALMNASMN1; SMN2
SCHEMBL20068960 0.79 SORT1 (0.54) SORT1GAALMNAKDM4EGRM5
SCHEMBL30440556 0.77 RAB9A (0.58) ALDH1A1SMN1; SMN2MEN1MAPTKMT2A
SCHEMBL1431669 0.77 RAB9A (0.58) ALDH1A1SMN1; SMN2MEN1MAPTKMT2A
SCHEMBL2190227 0.75 RAB9A (0.66) ALDH1A1SMN1; SMN2GRM5MEN1MAPT
SCHEMBL14667358 0.75 CYP1A2 (0.56) SORT1LMNAKDM4EGRM5RIPK1
SCHEMBL30440441 0.75 RAB9A (0.66) ALDH1A1SMN1; SMN2GRM5MEN1MAPT
SCHEMBL21723677 0.73 ALDH1A1 (0.51) SORT1ALDH1A1EGFRGAALMNA
SCHEMBL8987836 0.73 KMT2A (0.53) SORT1ALDH1A1SMN1; SMN2KDM4EMEN1

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 11 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

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 SORT1 4401/4885ALDH1A1 1452/4885EGFR 683/4885
US-20130030001-A1 QUINUCLIDINE DERIVATIVES AS MUSCARINIC M3 RECEPTOR ANTAGONISTS CHRM3, CHRM2, CHRM5 SORT1 4258/4885ALDH1A1 1514/4885EGFR 1107/4885

“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.