SCHEMBL859573

SCHEMBL859573

CCOC(=O)C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SIGMAR1 Q99720 2/20 0.44
BCHE P06276 3/20 0.40
ACHE P22303 3/20 0.40
CACNA1F O60840 1/20 0.40
CACNA1D Q01668 1/20 0.40
CACNA1S Q13698 1/20 0.40
CACNA1C Q13936 1/20 0.40
NPFFR1 Q9GZQ6 1/20 0.39
NPFFR2 Q9Y5X5 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
MAPK1 P28482 1/20 0.39
LMNA P02545 1/20 0.39
DRD2 P14416 2/20 0.38
DRD4 P21917 2/20 0.38
DRD3 P35462 2/20 0.38
USP30 Q70CQ3 1/20 0.38

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
SCHEMBL859572 1.00 KMT2A (0.47) KMT2AL3MBTL1SIGMAR1BCHEACHE
SCHEMBL859571 1.00 KMT2A (0.47) KMT2AL3MBTL1SIGMAR1BCHEACHE
SCHEMBL12181423 0.88 L3MBTL1 (0.44) KMT2AL3MBTL1SIGMAR1BCHEACHE
SCHEMBL8564168 0.87 KMT2A (0.52) KMT2AL3MBTL1SIGMAR1BCHEACHE
SCHEMBL20848126 0.87 KMT2A (0.52) KMT2AL3MBTL1SIGMAR1BCHEACHE
SCHEMBL8435135 0.87 KMT2A (0.52) KMT2AL3MBTL1SIGMAR1BCHEACHE
SCHEMBL14611726 0.85 KMT2A (0.50) KMT2AL3MBTL1BCHEACHENPFFR1
SCHEMBL14577624 0.85 SIGMAR1 (0.45) L3MBTL1SIGMAR1MAPK1LMNAUSP30
SCHEMBL19123095 0.85 KMT2A (0.52) KMT2AL3MBTL1SIGMAR1BCHENPFFR1
SCHEMBL19098262 0.85 KMT2A (0.52) KMT2AL3MBTL1SIGMAR1BCHENPFFR1

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1432707-B1 AZABICYCLIC-SUBSTITUTED FUSED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN CO LLC (US) 2012-03-28 EP disclosed
US-7176198-B2 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease PFIZER INC. (US) 2007-02-13 US disclosed
US-20060116395-A1 1H-pyrazole and 1h-pyrole-azabicyclic compounds for the treatment of disease PFIZER INC 2006-06-01 US disclosed
CN-1764456-A Treatment of related diseases using full alpha-7 nACh receptor agonists PHARMACIA & UPJOHN CO LLC (US) 2006-04-26 CN disclosed
US-7001900-B2 Azabicyclic compounds for the treatment of disease PFIZER INC. (US) 2006-02-21 US disclosed
US-20060019984-A1 Treatment of diseases with alpha-7nACh receptor full agonists PFIZER INC 2006-01-26 US disclosed
EP-1389208-B1 SUBSTITUTED AZABICYCLIC MOIETIES FOR THE TREATMENT OF DISEASE (NICOTINIC ACETHYLCHOLINE RECEPTOR AGONISTS) PHARMACIA & UPJOHN CO LLC (US) 2005-12-28 EP disclosed
US-20050245504-A1 Treatment of diseases with combinations of alpha 7 Nicotinic Acetylcholine Receptor agonists and other compounds CORBETT JEFFREY W 2005-11-03 US disclosed
US-20050234092-A1 Azabicyclic-substituted fused heteroaryl compounds for the treatment of disease PFIZER INC 2005-10-20 US disclosed
US-20050222196-A1 Azabicyclic-substituted fused heteroaryl compounds for the treatment of disease PFIZER INC. 2005-10-06 US disclosed
US-20040087616-A1 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease PIOTROWSKI DAVID W (US) 2004-05-06 US disclosed
US-20030236270-A1 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US disclosed
US-20030236264-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US disclosed
US-20030236279-A1 Substituted-aryl compounds for treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US disclosed
US-20030232853-A1 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-18 US disclosed
US-20030207913-A1 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-11-06 US disclosed
US-20030153595-A1 Azabicyclic-substituted fused-heteroaryl compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-08-14 US disclosed
US-20030130305-A1 Azabicyclic-phenyl-fused-heterocyclic compounds for treatment of disease PHARMACIA & UPJOHN COMPANY 2003-07-10 US disclosed
WO-2003040147-A1 AZABICYCLIC-SUBSTITUTED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE__________________________________________________________________________________________________________________________ PHARMACIA & UPJOHN COMPANY (US) 2003-05-15 WO disclosed
US-20030055043-A1 Substituted azabicyclic moieties for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-03-20 US 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 (14 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-20030232853-A1 Azabicyclic compounds for the treatment of disease TPMT, MALT1, AZI2 KMT2A 1954/4885L3MBTL1 4117/4885SIGMAR1 2976/4885
US-20030130305-A1 Azabicyclic-phenyl-fused-heterocyclic compounds for treatment of disease TPMT, PAICS, MALT1 KMT2A 2408/4885L3MBTL1 4530/4885SIGMAR1 2311/4885
US-20050245504-A1 Treatment of diseases with combinations of alpha 7 Nicotinic Acetylcholine Receptor agonists and other compounds CHRNA7, CHRNG, CHRNE KMT2A 2460/4885L3MBTL1 2459/4885SIGMAR1 1960/4885
US-20050234092-A1 Azabicyclic-substituted fused heteroaryl compounds for the treatment of disease UGT2B7, CYP3A7, UGT1A7 KMT2A 2505/4885L3MBTL1 4077/4885SIGMAR1 504/4885
US-20030153595-A1 Azabicyclic-substituted fused-heteroaryl compounds for the treatment of disease MALT1, TPMT, ABCB1 KMT2A 2892/4885L3MBTL1 4379/4885SIGMAR1 1243/4885
US-20060019984-A1 Treatment of diseases with alpha-7nACh receptor full agonists CHRNA7, CHRNA1, CHRNG KMT2A 3609/4885L3MBTL1 2904/4885SIGMAR1 1236/4885
US-20030236270-A1 Azabicyclic compounds for the treatment of disease MALT1, TPMT, CYP2B6 KMT2A 1916/4885L3MBTL1 3034/4885SIGMAR1 2192/4885
US-20030236264-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease NAT1, CYP11B1, COASY KMT2A 2737/4885L3MBTL1 3266/4885SIGMAR1 1269/4885
US-20030055043-A1 Substituted azabicyclic moieties for the treatment of disease CHRNA1, CHRNA7, CHRNA5 KMT2A 2488/4885L3MBTL1 1423/4885SIGMAR1 301/4885
US-20050222196-A1 Azabicyclic-substituted fused heteroaryl compounds for the treatment of disease UGT2B7, CYP3A7, UGT1A7 KMT2A 2505/4885L3MBTL1 4077/4885SIGMAR1 504/4885
US-20030207913-A1 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease MALT1, WFS1, NR5A1 KMT2A 3836/4885L3MBTL1 2531/4885SIGMAR1 641/4885
US-20030236279-A1 Substituted-aryl compounds for treatment of disease NAT1, CYP7A1, CYP7B1 KMT2A 3908/4885L3MBTL1 2491/4885SIGMAR1 811/4885
US-20060116395-A1 1H-pyrazole and 1h-pyrole-azabicyclic compounds for the treatment of disease CYP7B1, P2RX7, CYP3A7 KMT2A 3838/4885L3MBTL1 4245/4885SIGMAR1 1347/4885
US-20040087616-A1 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease CYP1B1, TPMT, CYP7B1 KMT2A 4136/4885L3MBTL1 4410/4885SIGMAR1 2879/4885

“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.