SCHEMBL16210604

SCHEMBL16210604

CC(C)(C)N(C(=O)O)c1cnc(-c2ccc(C(F)(F)F)cc2)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.40
PARP1 P09874 1/20 0.39
SLC22A12 Q96S37 1/20 0.38
ADORA3 P0DMS8 1/20 0.37
KCNH2 Q12809 1/20 0.37
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
ALOX5AP P20292 2/20 0.37
FEN1 P39748 2/20 0.37
APP P05067 1/20 0.36
PPARA Q07869 1/20 0.36
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
HDAC1 Q13547 1/20 0.36
SCN9A Q15858 1/20 0.36
KDM1A O60341 1/20 0.36
MAOB P27338 1/20 0.36
MAP4K4 O95819 1/20 0.36

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
SCHEMBL1549854 0.73 P2RY14 (0.47) DGAT1PARP1ALOX5APFEN1PPARA
SCHEMBL2497436 0.72 EPHX2 (0.44) APPALDH1A1TRPV1
SCHEMBL321738 0.70 ALDH1A1 (0.33) ALDH1A1L3MBTL1HDAC1
SCHEMBL9951791 0.70 ADORA3 (0.46) PARP1ADORA3PPARAHDAC1TRPV1
SCHEMBL22390554 0.69 KDM1A (0.49) PARP1IDO1TDO2ALOX5APFEN1
SCHEMBL1549552 0.69 CFTR (0.44) PARP1ADORA3IDO1TDO2ALOX5AP
SCHEMBL1550690 0.68 KDM1A (0.42) PARP1IDO1TDO2ALOX5APFEN1
SCHEMBL1549536 0.68 KDM1A (0.42) PARP1IDO1TDO2ALOX5APFEN1
SCHEMBL3187929 0.68 KIF11 (0.51) DGAT1SLC22A12APPPPARAL3MBTL1
SCHEMBL2862455 0.67 LDHA (0.65) PPARAL3MBTL1KDM1AMAOBMAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9056834-B2 Glucagon receptor modulators PFIZER INC. (US) 2015-06-16 US disclosed
US-20150094338-A1 Glucagon Receptor Modulators PFIZER INC. (US) 2015-04-02 US disclosed
US-20140329862-A1 Glucagon Receptor Modulators PFIZER INC. (US) 2014-11-06 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 (2 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-20140329862-A1 Glucagon Receptor Modulators GLP1R, GCGR, GPR119 DGAT1 1934/4885PARP1 4327/4885SLC22A12 1254/4885
US-20150094338-A1 Glucagon Receptor Modulators GLP1R, GCGR, GPR119 DGAT1 1934/4885PARP1 4327/4885SLC22A12 1254/4885

“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.