SCHEMBL843533

SCHEMBL843533

CC(C)(C)OC(=O)NC1CN2CCC1C2

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CHRM1 P11229 2/20 0.45
CYP2C9 P11712 1/20 0.42
HSD11B1 P28845 1/20 0.42
CHRNA7 P36544 2/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
HTR3A P46098 1/20 0.41
BTK Q06187 1/20 0.40
CHRM2 P08172 1/20 0.39
CHRM3 P20309 1/20 0.39

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
SCHEMBL14577614 0.79 CHRM3 (0.48) CA1CA2CHRM1CHRNA7HTR3A
SCHEMBL8325137 0.79 CHRM3 (0.48) CA1CA2CHRM1CHRNA7HTR3A
SCHEMBL14577530 0.79 CHRM3 (0.48) CA1CA2CHRM1CHRNA7HTR3A
SCHEMBL10280321 0.79 CHRM3 (0.48) CA1CA2CHRM1CHRNA7HTR3A
SCHEMBL4641612 0.73 CTSK (0.46) CTSKCA1CA2CYP2C9HSD11B1
SCHEMBL4641615 0.73 CTSK (0.46) CTSKCA1CA2CYP2C9HSD11B1
SCHEMBL4641603 0.73 CTSK (0.46) CTSKCA1CA2CYP2C9HSD11B1
SCHEMBL14611982 0.72 CHRM1 (0.45) CA1CA2CHRM1CHRNA7
SCHEMBL8324789 0.72 CHRM1 (0.45) CA1CA2CHRM1CHRNA7CHRNB2
SCHEMBL14611984 0.72 CHRM1 (0.45) CA1CA2CHRM1CHRNA7

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 49 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-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
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
EP-1587511-A2 TREATMENT OF DISEASES WITH ALPHA-7 NACH RECEPTOR FULL AGONISTS Pharmacia & Upjohn Company LLC (US) 2005-10-26 EP disclosed
US-20050234092-A1 Azabicyclic-substituted fused heteroaryl compounds for the treatment of disease PFIZER INC 2005-10-20 US disclosed
US-20030236270-A1 Azabicyclic compounds for the 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
WO-2003072578-A1 AZABICYCLIC COMPOUNDS WITH ALFA7 NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY PHARMACIA & UPJOHN COMPANY (US) 2003-09-04 WO disclosed
WO-2003070731-A2 AZABICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2003-08-28 WO 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-2003042210-A1 AZABICYCLIC-PHENYL-FUSED-HETEROCYCLIC COMPOUNDS AND THEIR USE AS ALPHA7 NACHR LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2003-05-22 WO disclosed
WO-2003029252-A1 AZABICYCLIC-SUBSTITUTED FUSED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2003-04-10 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 (10 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 CTSK 2766/4885CA1 1402/4885CA2 2312/4885
US-20030130305-A1 Azabicyclic-phenyl-fused-heterocyclic compounds for treatment of disease TPMT, PAICS, MALT1 CTSK 2907/4885CA1 1996/4885CA2 2741/4885
US-20050245504-A1 Treatment of diseases with combinations of alpha 7 Nicotinic Acetylcholine Receptor agonists and other compounds CHRNA7, CHRNG, CHRNE CTSK 487/4885CA1 420/4885CA2 2040/4885
US-20050234092-A1 Azabicyclic-substituted fused heteroaryl compounds for the treatment of disease UGT2B7, CYP3A7, UGT1A7 CTSK 2140/4885CA1 2780/4885CA2 3386/4885
US-20030153595-A1 Azabicyclic-substituted fused-heteroaryl compounds for the treatment of disease MALT1, TPMT, ABCB1 CTSK 2597/4885CA1 2662/4885CA2 2845/4885
US-20060019984-A1 Treatment of diseases with alpha-7nACh receptor full agonists CHRNA7, CHRNA1, CHRNG CTSK 2109/4885CA1 1825/4885CA2 2259/4885
US-20030236270-A1 Azabicyclic compounds for the treatment of disease MALT1, TPMT, CYP2B6 CTSK 4215/4885CA1 1930/4885CA2 2079/4885
US-20030055043-A1 Substituted azabicyclic moieties for the treatment of disease CHRNA1, CHRNA7, CHRNA5 CTSK 4398/4885CA1 1603/4885CA2 1801/4885
US-20030207913-A1 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease MALT1, WFS1, NR5A1 CTSK 2315/4885CA1 2971/4885CA2 3277/4885
US-20060116395-A1 1H-pyrazole and 1h-pyrole-azabicyclic compounds for the treatment of disease CYP7B1, P2RX7, CYP3A7 CTSK 1383/4885CA1 2279/4885CA2 2739/4885

“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.