SCHEMBL1040539

SCHEMBL1040539

COC1(c2ccccc2)CCCCCCC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.54
OPRD1 P41143 1/20 0.54
OPRK1 P41145 1/20 0.54
OPRL1 P41146 1/20 0.54
ALOX5 P09917 1/20 0.49
KDM4E B2RXH2 1/20 0.46
HTT P42858 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HSD11B1 P28845 1/20 0.46
SLC6A4 P31645 2/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
DRD3 P35462 1/20 0.44

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
SCHEMBL1040389 1.00 OPRM1 (0.54) OPRM1OPRD1OPRK1OPRL1ALOX5
SCHEMBL16024156 1.00 OPRM1 (0.54) OPRM1OPRD1OPRK1OPRL1ALOX5
SCHEMBL14899046 0.98 OPRM1 (0.56) OPRM1OPRD1OPRK1OPRL1ALOX5
SCHEMBL10821867 0.93 OPRM1 (0.56) OPRM1OPRD1OPRK1OPRL1ALOX5
SCHEMBL13876257 0.89 OPRM1 (0.59) OPRM1OPRD1OPRK1OPRL1ALOX5
SCHEMBL791817 0.84 SLC6A4 (0.47) OPRM1OPRD1SLC6A4SLC6A2SLC6A3
SCHEMBL22422757 0.83 AKR1C1 (0.42) OPRM1OPRD1OPRK1OPRL1SLC6A4
SCHEMBL3815508 0.82 SLC6A2 (0.45) OPRM1OPRD1SLC6A4SLC6A2SLC6A3
SCHEMBL12845017 0.79 ALOX5 (0.38) OPRM1OPRD1OPRK1OPRL1ALOX5
SCHEMBL613551 0.79 OPRM1 (0.55) OPRM1OPRD1OPRK1OPRL1HSD11B1

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 18 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
US-20130005695-A1 QUINICLIDINE DERIVATIVES OF (HETERO) ARYLCYCLOHEPTANECARBOXYLIC ACID AS MUSCARINIC RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2013-01-03 US disclosed
US-20130005695-A1 QUINICLIDINE DERIVATIVES OF (HETERO) ARYLCYCLOHEPTANECARBOXYLIC ACID AS MUSCARINIC RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2013-01-03 US disclosed
US-8207193-B2 Quiniclidine derivatives of (hetero) arylcycloheptanecarboxylic acid as muscarinic receptor antagonists ASTRAZENECA AB (SE) 2012-06-26 US disclosed
US-8207193-B2 Quiniclidine derivatives of (hetero) arylcycloheptanecarboxylic acid as muscarinic receptor antagonists ASTRAZENECA AB (SE) 2012-06-26 US 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-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
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
US-20100029713-A1 QUINICLIDINE DERIVATIVES OF (HETERO) ARYLCYCLOHEPTANECARBOXYLIC ACID AS MUSCARINIC RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2010-02-04 US disclosed
US-20100029713-A1 QUINICLIDINE DERIVATIVES OF (HETERO) ARYLCYCLOHEPTANECARBOXYLIC ACID AS MUSCARINIC RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2010-02-04 US disclosed
EP-2094694-A1 QUINICLIDINE DERIVATIVES OF (HETERO) ARYLCYCLOHEPTANECARBOXYLIC ACID AS MUSCARINIC RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2009-09-02 EP disclosed
WO-2008059239-A1 NOVEL COMPOUNDS 514 ASTRAZENECA AB (SE) 2008-05-22 WO disclosed
WO-2008059239-A1 NOVEL COMPOUNDS 514 ASTRAZENECA AB (SE) 2008-05-22 WO disclosed
WO-2008059245-A1 QUINICLIDINE DERIVATIVES OF (HETERO) ARYLCYCLOHEPTANECARBOXYLIC ACID AS MUSCARINIC RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2008-05-22 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 (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 OPRM1 55/4885OPRD1 38/4885OPRK1 82/4885
US-20130005695-A1 QUINICLIDINE DERIVATIVES OF (HETERO) ARYLCYCLOHEPTANECARBOXYLIC ACID AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM1, CHRM3 OPRM1 52/4885OPRD1 39/4885OPRK1 71/4885

“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.