SCHEMBL1042365

SCHEMBL1042365

COC(=O)C1(c2ccccc2)CCCCCCC1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.62
AKR1C1 Q04828 1/20 0.61
CHRM3 P20309 2/20 0.61
APOBEC3A P31941 3/20 0.56
APOBEC3G Q9HC16 3/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
HTT P42858 2/20 0.56
PRCP P42785 1/20 0.55
SIGMAR1 Q99720 1/20 0.55
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
ALDH1A1 P00352 2/20 0.54
MAPK1 P28482 1/20 0.54
POLB P06746 1/20 0.54
CHRM2 P08172 1/20 0.52
CHRM1 P11229 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
HSD11B1 P28845 1/20 0.51
P2RX7 Q99572 1/20 0.50

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
SCHEMBL1038755 1.00 HDAC4 (0.62) HDAC4AKR1C1CHRM3APOBEC3AAPOBEC3G
SCHEMBL1042494 1.00 HDAC4 (0.62) HDAC4AKR1C1CHRM3APOBEC3AAPOBEC3G
SCHEMBL1041983 0.98 AKR1C1 (0.63) HDAC4AKR1C1CHRM3APOBEC3AAPOBEC3G
SCHEMBL2481767 0.95 AKR1C1 (0.58) HDAC4AKR1C1CHRM3APOBEC3AAPOBEC3G
SCHEMBL349195 0.91 MEN1 (0.56) HDAC4AKR1C1CHRM3APOBEC3AAPOBEC3G
Iodomethane SCHEMBL3898463 0.87 MEN1 (0.53) HDAC4AKR1C1CHRM3APOBEC3AAPOBEC3G
SCHEMBL3486826 0.85 CHRM3 (0.47) HDAC4AKR1C1CHRM3APOBEC3AAPOBEC3G
SCHEMBL21761835 0.84 MEN1 (0.54) HDAC4AKR1C1CHRM3APOBEC3AAPOBEC3G
SCHEMBL3485510 0.84 MAPT (0.53) HDAC4CHRM3ALDH1A1MAPK1SMN1; SMN2
SCHEMBL1543214 0.84 HDAC4 (0.49) HDAC4AKR1C1CHRM3APOBEC3AAPOBEC3G

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 HDAC4 3084/4885AKR1C1 649/4885CHRM3 3/4885
US-20130005695-A1 QUINICLIDINE DERIVATIVES OF (HETERO) ARYLCYCLOHEPTANECARBOXYLIC ACID AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM1, CHRM3 HDAC4 3135/4885AKR1C1 650/4885CHRM3 3/4885

“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.