SCHEMBL844751

SCHEMBL844751

CCOC(=O)CC1CN(Cc2ccccc2)CC1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.45
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 2/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR5 Q9H228 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 1/20 0.39
GBA1 P04062 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
SCHEMBL844752 1.00 SIGMAR1 (0.45) SIGMAR1ATML3MBTL1LMNAMAPK1
SCHEMBL844750 1.00 SIGMAR1 (0.45) SIGMAR1ATML3MBTL1LMNAMAPK1
SCHEMBL6171853 1.00 SIGMAR1 (0.45) SIGMAR1ATML3MBTL1LMNAMAPK1
SCHEMBL879296 0.84 S1PR5 (0.46) SIGMAR1ALDH1A1S1PR1S1PR5GBA1
SCHEMBL22874318 0.82 SIGMAR1 (0.49) SIGMAR1ATML3MBTL1LMNAMAPK1
SCHEMBL844251 0.81 SIGMAR1 (0.48) SIGMAR1ATML3MBTL1LMNAMAPK1
SCHEMBL844250 0.81 SIGMAR1 (0.48) SIGMAR1ATML3MBTL1LMNAMAPK1
SCHEMBL844252 0.81 SIGMAR1 (0.48) SIGMAR1ATML3MBTL1LMNAMAPK1
SCHEMBL6671433 0.80 SIGMAR1 (0.47) SIGMAR1ATML3MBTL1LMNAMAPK1
SCHEMBL25358239 0.77 SIGMAR1 (0.54) SIGMAR1ATML3MBTL1LMNAMAPK1

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 48 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-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
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
US-6177425-B1 STEREOSPECIFIC ENANTIOMER HAVING ANTIINFLAMMATORY AND NEUTROPHIL ELASTASE INHIBITING ACTIVITY; FOR TREATMENT OF CHRONIC BRONCHITIS IN HUMANS OR ANIMALS GLAXO WELLCOME INC. 2001-01-23 US disclosed
EP-1015455-A1 PYRROLOPYRROLONE DERIVATIVES GLAXO GROUP LIMITED (GB) 2000-07-05 EP disclosed
EP-1015456-A1 PYRROLOPYRROLIDINE DERIVATIVES AND THEIR USE AS SERINE PROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2000-07-05 EP disclosed
WO-1999012935-A1 PYRROLOPYRROLIDINE DERIVATIVES AND THEIR USE AS SERINE PROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 1999-03-18 WO disclosed
WO-1999012934-A1 PYRROLOPYRROLONE DERIVATIVES GLAXO GROUP LIMITED (GB) 1999-03-18 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 (8 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-20030130305-A1 Azabicyclic-phenyl-fused-heterocyclic compounds for treatment of disease TPMT, PAICS, MALT1 SIGMAR1 2311/4885ATM 4801/4885L3MBTL1 4530/4885
US-20050245504-A1 Treatment of diseases with combinations of alpha 7 Nicotinic Acetylcholine Receptor agonists and other compounds CHRNA7, CHRNG, CHRNE SIGMAR1 1960/4885ATM 3179/4885L3MBTL1 2459/4885
US-20050234092-A1 Azabicyclic-substituted fused heteroaryl compounds for the treatment of disease UGT2B7, CYP3A7, UGT1A7 SIGMAR1 504/4885ATM 4870/4885L3MBTL1 4077/4885
US-20030153595-A1 Azabicyclic-substituted fused-heteroaryl compounds for the treatment of disease MALT1, TPMT, ABCB1 SIGMAR1 1243/4885ATM 4869/4885L3MBTL1 4379/4885
US-20060019984-A1 Treatment of diseases with alpha-7nACh receptor full agonists CHRNA7, CHRNA1, CHRNG SIGMAR1 1236/4885ATM 3388/4885L3MBTL1 2904/4885
US-20030055043-A1 Substituted azabicyclic moieties for the treatment of disease CHRNA1, CHRNA7, CHRNA5 SIGMAR1 301/4885ATM 4284/4885L3MBTL1 1423/4885
US-20050222196-A1 Azabicyclic-substituted fused heteroaryl compounds for the treatment of disease UGT2B7, CYP3A7, UGT1A7 SIGMAR1 504/4885ATM 4870/4885L3MBTL1 4077/4885
US-20060116395-A1 1H-pyrazole and 1h-pyrole-azabicyclic compounds for the treatment of disease CYP7B1, P2RX7, CYP3A7 SIGMAR1 1347/4885ATM 4855/4885L3MBTL1 4245/4885

“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.