SCHEMBL2190433

SCHEMBL2190433

O=C(CBr)Nc1cc(F)ccc1F

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 6/20 0.59
PKM P14618 1/20 0.59
ALDH1A1 P00352 2/20 0.55
CTDSP1 Q9GZU7 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
GRK2 P25098 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.52
MAPT P10636 2/20 0.51
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
THRB P10828 1/20 0.48
HTT P42858 1/20 0.48
LMNA P02545 2/20 0.47
TP53 P04637 1/20 0.47
BLM P54132 1/20 0.46
CASP6 P55212 1/20 0.46
MCL1 Q07820 1/20 0.46

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
SCHEMBL30938481 0.86 RAB9A (0.59) POLBPKMALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL6036198 0.86 RAB9A (0.59) POLBPKMALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL21765662 0.83 RAB9A (0.41) POLBPKMALDH1A1CTDSP1L3MBTL1
SCHEMBL25474855 0.82 POLB (0.59) POLBPKMALDH1A1CTDSP1L3MBTL1
SCHEMBL13018932 0.82 SMN1; SMN2 (0.59) POLBPKMALDH1A1CTDSP1L3MBTL1
SCHEMBL13652566 0.82 POLB (0.59) POLBPKMALDH1A1CTDSP1L3MBTL1
SCHEMBL8689054 0.81 GRIK1 (0.48) POLBPKMALDH1A1SMN1; SMN2KMT2A
SCHEMBL28007482 0.81 CA1 (0.51) POLBPKMALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL3078183 0.81 SMN1; SMN2 (0.58) POLBPKMALDH1A1CTDSP1L3MBTL1
SCHEMBL7474528 0.79 CA1 (0.41) POLBPKMCTDSP1L3MBTL1GRK2

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 8 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
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 POLB 3438/4885PKM 2591/4885ALDH1A1 1452/4885
US-20130030001-A1 QUINUCLIDINE DERIVATIVES AS MUSCARINIC M3 RECEPTOR ANTAGONISTS CHRM3, CHRM2, CHRM5 POLB 3751/4885PKM 2218/4885ALDH1A1 1514/4885

“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.