SCHEMBL2998444

SCHEMBL2998444

CC(C)(C)OC(=O)N1CC(c2ccccn2)C1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.54
USP30 Q70CQ3 1/20 0.48
GRM5 P41594 2/20 0.47
POLB P06746 1/20 0.47
NAMPT P43490 1/20 0.45
GRM1 Q13255 1/20 0.45
PDE10A Q9Y233 2/20 0.44
RORC P51449 1/20 0.44
HPGDS O60760 2/20 0.44
KDM4E B2RXH2 1/20 0.44
RIPK1 Q13546 1/20 0.43

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 1.00 GPR119 (0.54) GPR119USP30GRM5POLBNAMPT
SCHEMBL18115645 0.90 GPR119 (0.59) GPR119USP30HPGDS
SCHEMBL30919809 0.89 GPR119 (0.55) GPR119USP30GRM5HPGDS
SCHEMBL4003240 0.89 GPR119 (0.55) GPR119USP30GRM5HPGDS
SCHEMBL30469398 0.86 GPR119 (0.65) GPR119USP30POLBNAMPTHPGDS
SCHEMBL4080053 0.86 GPR119 (0.65) GPR119USP30POLBNAMPTHPGDS
SCHEMBL7213829 0.83 GPR119 (0.49) GPR119USP30GRM5POLBNAMPT
SCHEMBL7213834 0.83 GPR119 (0.49) GPR119USP30GRM5POLBNAMPT
Acetic Acid SCHEMBL27822211 0.83 GPR119 (0.61) GPR119USP30POLBNAMPTHPGDS
SCHEMBL7213823 0.83 GPR119 (0.49) GPR119USP30GRM5POLBNAMPT

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 95/4885USP30 1948/4885GRM5 759/4885
US-20100190771-A1 AMINO-HETEROCYCLIC COMPOUNDS PDE9A, PDE2A, PDE10A GPR119 95/4885USP30 1948/4885GRM5 759/4885
US-20140088081-A1 Amino-Heterocyclic Compounds PDE9A, PDE2A, PDE10A GPR119 95/4885USP30 1948/4885GRM5 759/4885

“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.