SCHEMBL1037837

SCHEMBL1037837

Cc1cnc(NC(=O)CBr)cn1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.55
GAA P10253 2/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 5/20 0.39
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 2/20 0.38
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
WNT3A P56704 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
RECQL P46063 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
SCHEMBL21765658 0.89 TSHR (0.43) NOTUMGAAPOLBRAB9ATDP1
SCHEMBL2629365 0.84 NOTUM (0.56) NOTUMGAAPOLBRAB9ATDP1
SCHEMBL1723145 0.84 NOTUM (0.56) NOTUMGAARAB9AL3MBTL1MAPT
SCHEMBL1850645 0.81 MAPT (0.56) NOTUMGAARAB9AL3MBTL1MAPT
SCHEMBL2629367 0.79 NOTUM (0.52) NOTUMRAB9AMAPTSMN1; SMN2NPC1
SCHEMBL2629366 0.79 NOTUM (0.63) NOTUMRAB9AL3MBTL1MAPTTSHR
SCHEMBL321546 0.79 NOTUM (0.50) NOTUMGAAPOLBRAB9ATDP1
SCHEMBL839206 0.77 RAB9A (0.66) POLBRAB9AL3MBTL1MAPTSMN1; SMN2
SCHEMBL2227323 0.77 PTK2 (0.52) NOTUMGAAPOLBRAB9ATDP1
SCHEMBL1848793 0.77 L3MBTL1 (0.61) NOTUMPOLBRAB9AL3MBTL1MAPT

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 30 patents — showing the first 20. 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-20130005695-A1 QUINICLIDINE DERIVATIVES OF (HETERO) ARYLCYCLOHEPTANECARBOXYLIC ACID AS MUSCARINIC RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2013-01-03 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
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-2121137-B1 QUINUCLIDINOL DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2012-04-25 EP disclosed
EP-2121137-B1 QUINUCLIDINOL DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2012-04-25 EP 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
CN-101610813-A Quinuclidinol derivatives as muscarinic receptor antagonist ASTRAZENECA AB (SE) 2009-12-23 CN disclosed
EP-2121137-A1 QUINUCLIDINOL DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2009-11-25 EP 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
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-2008075005-A1 QUINUCLIDINOL DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2008-06-26 WO disclosed
WO-2008075005-A1 QUINUCLIDINOL DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2008-06-26 WO 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 (3 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 NOTUM 3100/4885GAA 2510/4885POLB 3438/4885
US-20130030001-A1 QUINUCLIDINE DERIVATIVES AS MUSCARINIC M3 RECEPTOR ANTAGONISTS CHRM3, CHRM2, CHRM5 NOTUM 2251/4885GAA 1902/4885POLB 3751/4885
US-20130005695-A1 QUINICLIDINE DERIVATIVES OF (HETERO) ARYLCYCLOHEPTANECARBOXYLIC ACID AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM1, CHRM3 NOTUM 2763/4885GAA 2509/4885POLB 2698/4885

“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.