SCHEMBL1040807

SCHEMBL1040807

O=C(CBr)Nc1ccc(Cl)nn1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.46
MAPT P10636 3/20 0.46
ALDH1A1 P00352 2/20 0.46
POLB P06746 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
TDP1 Q9NUW8 1/20 0.38
GLS O94925 1/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
BLM P54132 1/20 0.37
CASP6 P55212 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SIRT2 Q8IXJ6 1/20 0.36

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
SCHEMBL3308942 0.84 ALDH1A1 (0.47) GAAMAPTALDH1A1POLBSMN1; SMN2
SCHEMBL24842072 0.84 MAPT (0.47) GAAMAPTALDH1A1POLBSMN1; SMN2
SCHEMBL10770157 0.82 MAPT (0.46) GAAMAPTALDH1A1POLBSMN1; SMN2
SCHEMBL2189033 0.79 SORT1 (0.48) GAAMAPTALDH1A1SMN1; SMN2TDP1
SCHEMBL22670314 0.78 TDP1 (0.45) GAAMAPTALDH1A1POLBSMN1; SMN2
SCHEMBL15201093 0.77 MAPT (0.52) GAAMAPTALDH1A1POLBSMN1; SMN2
SCHEMBL15372722 0.77 SMN1; SMN2 (0.44) GAAMAPTALDH1A1POLBSMN1; SMN2
SCHEMBL5629221 0.76 GAA (0.50) GAAMAPTALDH1A1POLBSMN1; SMN2
SCHEMBL3152711 0.76 PTK2 (0.55) GAAMAPTALDH1A1POLBSMN1; SMN2
SCHEMBL1428229 0.75 CSF1R (0.39) GAAGLSLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130005695-A1 QUINICLIDINE DERIVATIVES OF (HETERO) ARYLCYCLOHEPTANECARBOXYLIC ACID AS MUSCARINIC RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2013-01-03 US disclosed
CN-101535306-B Quinuclidine derivatives of (hetero) arylcycloheptylcarboxylic acids as muscarinic receptor antagonists ASTRAZENECA AB 2012-09-12 CN disclosed
US-8207193-B2 Quiniclidine derivatives of (hetero) arylcycloheptanecarboxylic acid as muscarinic receptor antagonists ASTRAZENECA AB (SE) 2012-06-26 US disclosed
EP-2094694-B1 QUINICLIDINE DERIVATIVES OF (HETERO) ARYLCYCLOHEPTANECARBOXYLIC ACID AS MUSCARINIC RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2011-01-26 EP disclosed
EP-2256117-A1 Quiniclidine derivatives of (hetero) arylcycloheptanecarboxylic acid as muscarinic receptor antagonists AstraZeneca AB (SE) 2010-12-01 EP disclosed
US-20100029713-A1 QUINICLIDINE DERIVATIVES OF (HETERO) ARYLCYCLOHEPTANECARBOXYLIC ACID AS MUSCARINIC RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2010-02-04 US disclosed
CN-101535306-A Quinuclidine derivatives of (hetero) arylcycloheptylcarboxylic acids as muscarinic receptor antagonists ASTRAZENECA AB (SE) 2009-09-16 CN disclosed
EP-2094694-A1 QUINICLIDINE DERIVATIVES OF (HETERO) ARYLCYCLOHEPTANECARBOXYLIC ACID AS MUSCARINIC RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2009-09-02 EP disclosed
WO-2008059245-A1 QUINICLIDINE DERIVATIVES OF (HETERO) ARYLCYCLOHEPTANECARBOXYLIC ACID AS MUSCARINIC RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2008-05-22 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-20100029713-A1 QUINICLIDINE DERIVATIVES OF (HETERO) ARYLCYCLOHEPTANECARBOXYLIC ACID AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM1, CHRM3 GAA 2520/4885MAPT 4277/4885ALDH1A1 2149/4885
US-20130005695-A1 QUINICLIDINE DERIVATIVES OF (HETERO) ARYLCYCLOHEPTANECARBOXYLIC ACID AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM1, CHRM3 GAA 2509/4885MAPT 4241/4885ALDH1A1 2159/4885

“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.