SCHEMBL3000913

SCHEMBL3000913

Cc1cc(C)nc(OC2CN(C(=O)OC(C)(C)C)C2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.45
GPR119 Q8TDV5 2/20 0.43
CACNB4 O00305 1/20 0.43
CACNA1A O00555 1/20 0.43
CACNA1G O43497 1/20 0.43
CACNG3 O60359 1/20 0.43
CACNA1F O60840 1/20 0.43
CACNA1H O95180 1/20 0.43
CACNB3 P54284 1/20 0.43
CACNA2D1 P54289 1/20 0.43
CACNG7 P62955 1/20 0.43
CACNA1B Q00975 1/20 0.43
CACNA1D Q01668 1/20 0.43
CACNB1 Q02641 1/20 0.43
CACNG1 Q06432 1/20 0.43
CACNB2 Q08289 1/20 0.43
CACNA1S Q13698 1/20 0.43
CACNA1C Q13936 1/20 0.43
CACNA1E Q15878 1/20 0.43
CACNA2D4 Q7Z3S7 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
SCHEMBL1740375 0.81 GRM5 (0.39)
SCHEMBL2995903 0.80 GPR119 (0.51) GPR119CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL21590835 0.78 GPR119 (0.51) SSTR4GPR119CACNB4CACNA1ACACNA1G
SCHEMBL31124929 0.77 CACNB4 (0.43) GPR119CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL27056207 0.77 HCRTR1 (0.57)
SCHEMBL1672073 0.77 HCRTR1 (0.57)
SCHEMBL29161278 0.77 HMOX1 (0.47) GPR119PIK3CDUSP30NR1H2
SCHEMBL28911357 0.77 USP30 (0.45) GPR119CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL21603183 0.76 PIK3CD (0.52) GPR119PIK3CDUSP30PIK3CA
SCHEMBL21603185 0.76 PIK3CD (0.52) GPR119PIK3CDUSP30PIK3CA

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 13 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
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

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 SSTR4 2344/4885GPR119 95/4885CACNB4 3416/4885
US-20100190771-A1 AMINO-HETEROCYCLIC COMPOUNDS PDE9A, PDE2A, PDE10A SSTR4 2344/4885GPR119 95/4885CACNB4 3416/4885
US-20140088081-A1 Amino-Heterocyclic Compounds PDE9A, PDE2A, PDE10A SSTR4 2344/4885GPR119 95/4885CACNB4 3416/4885

“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.