SCHEMBL2993386

SCHEMBL2993386

CC(C)(C)OC(=O)N1CC(c2cccnn2)C1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.44
POLB P06746 1/20 0.43
KDM5A P29375 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NAMPT P43490 1/20 0.42
HPGDS O60760 2/20 0.41
RORC P51449 1/20 0.41
MAPK1 P28482 1/20 0.40
NR1H2 P55055 1/20 0.40
PDE10A Q9Y233 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
SCHEMBL31228209 0.82 GPR119 (0.54) GPR119POLBKDM4ENAMPTHPGDS
SCHEMBL2998444 0.82 GPR119 (0.54) GPR119POLBKDM4ENAMPTHPGDS
SCHEMBL15529465 0.81 NAMPT (0.65) NAMPT
SCHEMBL25224122 0.78 KMT2A (0.45) GPR119POLBKDM4ENAMPTHPGDS
SCHEMBL31232914 0.78 GRM5 (0.48) GPR119KDM5AKDM4ENAMPTRORC
SCHEMBL3001502 0.78 GRM5 (0.48) GPR119KDM5AKDM4ENAMPTRORC
SCHEMBL1740371 0.78 KDM5A (0.46) KDM5APDE10A
SCHEMBL23089558 0.77 KDM4E (0.47) GPR119POLBKDM4ENAMPTRORC
SCHEMBL29814586 0.77 KDM4E (0.47) GPR119POLBKDM4ENAMPTRORC
SCHEMBL21640304 0.77 PTPN2 (0.50) GPR119POLBNAMPT

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140088081-A1 Amino-Heterocyclic Compounds PFIZER INC. (US) 2014-03-27 US disclosed
US-20140088081-A1 Amino-Heterocyclic Compounds PFIZER INC. (US) 2014-03-27 US disclosed
US-20140088081-A1 Amino-Heterocyclic Compounds PFIZER INC. (US) 2014-03-27 US disclosed
US-8618117-B2 Amino-heterocyclic compounds PFIZER INC. (US) 2013-12-31 US disclosed
EP-2389382-B1 Amino-heterocyclic compounds used as pde9 inhibitors PFIZER (US) 2013-06-05 EP disclosed
EP-2389382-B1 Amino-heterocyclic compounds used as pde9 inhibitors PFIZER (US) 2013-06-05 EP disclosed
US-20120329777-A1 Amino-Heterocyclic Compounds PFIZER INC. 2012-12-27 US disclosed
US-20120329777-A1 Amino-Heterocyclic Compounds PFIZER INC. 2012-12-27 US disclosed
US-20120329777-A1 Amino-Heterocyclic Compounds PFIZER INC. 2012-12-27 US disclosed
US-8278295-B2 Amino-heterocyclic compounds PFIZER INC. (US) 2012-10-02 US disclosed
US-8278295-B2 Amino-heterocyclic compounds PFIZER INC. (US) 2012-10-02 US disclosed
US-8278295-B2 Amino-heterocyclic compounds PFIZER INC. (US) 2012-10-02 US disclosed
US-20100190771-A1 AMINO-HETEROCYCLIC COMPOUNDS PFIZER INC. 2010-07-29 US disclosed
US-20100190771-A1 AMINO-HETEROCYCLIC COMPOUNDS PFIZER INC. 2010-07-29 US disclosed
US-20100190771-A1 AMINO-HETEROCYCLIC COMPOUNDS PFIZER INC. 2010-07-29 US disclosed
WO-2010084438-A1 AMINO-HETEROCYCLIC COMPOUNDS USED AS PDE9 INHIBITORS PFIZER INC. (US) 2010-07-29 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 (3 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-20120329777-A1 Amino-Heterocyclic Compounds PDE9A, PDE2A, PDE10A GPR119 95/4885POLB 3465/4885KDM5A 1112/4885
US-20100190771-A1 AMINO-HETEROCYCLIC COMPOUNDS PDE9A, PDE2A, PDE10A GPR119 95/4885POLB 3465/4885KDM5A 1112/4885
US-20140088081-A1 Amino-Heterocyclic Compounds PDE9A, PDE2A, PDE10A GPR119 95/4885POLB 3465/4885KDM5A 1112/4885

“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.