SCHEMBL9956430

SCHEMBL9956430

CC(C)CC(Nc1cnc(C(=O)O)nc1)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GCGR P47871 6/20 0.75
GCG P01275 7/20 0.47
PSEN1 P49768 2/20 0.47
PSEN2 P49810 2/20 0.47
APH1B Q8WW43 2/20 0.47
NCSTN Q92542 2/20 0.47
APH1A Q96BI3 2/20 0.47
PSENEN Q9NZ42 2/20 0.47
FFAR1 O14842 3/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
CTSL P07711 2/20 0.39
CTSB P07858 2/20 0.39
CTSS P25774 2/20 0.39
CTSK P43235 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
SCHEMBL9957353 0.89 GCGR (0.69) GCGRGCGPSEN1PSEN2APH1B
SCHEMBL9951790 0.86 GCGR (1.00) GCGRGCG
SCHEMBL9951466 0.86 GCGR (1.00) GCGRGCG
SCHEMBL9951613 0.86 GCGR (1.00) GCGRGCG
SCHEMBL9951730 0.81 GCGR (0.65) GCGRGCGPSEN1PSEN2APH1B
SCHEMBL9951734 0.81 GCGR (0.65) GCGRGCGPSEN1PSEN2APH1B
SCHEMBL9950900 0.80 GCGR (0.79) GCGRGCG
SCHEMBL9951231 0.80 GCGR (0.79) GCGRGCG
SCHEMBL9951823 0.80 GCGR (0.79) GCGRGCG
SCHEMBL9951651 0.79 GCGR (0.81) GCGRGCG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150266861-A1 Glucagon Receptor Modulators PFIZER INC. (US) 2015-09-24 US disclosed
US-20150266861-A1 Glucagon Receptor Modulators PFIZER INC. (US) 2015-09-24 US disclosed
US-9056834-B2 Glucagon receptor modulators PFIZER INC. (US) 2015-06-16 US disclosed
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-20150094338-A1 Glucagon Receptor Modulators PFIZER INC. (US) 2015-04-02 US disclosed
US-8933104-B2 Glucagon receptor modulators PFIZER INC. (US) 2015-01-13 US disclosed
US-8933104-B2 Glucagon receptor modulators PFIZER INC. (US) 2015-01-13 US disclosed
US-20140329862-A1 Glucagon Receptor Modulators PFIZER INC. (US) 2014-11-06 US disclosed
US-20140329862-A1 Glucagon Receptor Modulators PFIZER INC. (US) 2014-11-06 US disclosed
US-8809342-B2 Glucagon receptor modulators PFIZER INC. (US) 2014-08-19 US disclosed
US-8809342-B2 Glucagon receptor modulators PFIZER INC. (US) 2014-08-19 US disclosed
US-8809342-B2 Glucagon receptor modulators PFIZER INC. (US) 2014-08-19 US disclosed
EP-2655331-A1 GLUCAGON RECEPTOR MODULATORS Pfizer Inc (US) 2013-10-30 EP disclosed
US-20120165343-A1 Glucagon Receptor Modulators PFIZER INC. (US) 2012-06-28 US disclosed
WO-2012085745-A1 GLUCAGON RECEPTOR MODULATORS PFIZER INC. (US) 2012-06-28 WO disclosed
WO-2012085745-A1 GLUCAGON RECEPTOR MODULATORS PFIZER INC. (US) 2012-06-28 WO disclosed
US-20120165343-A1 Glucagon Receptor Modulators PFIZER INC. (US) 2012-06-28 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 (4 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 GCGR 2/4885GCG 15/4885PSEN1 3218/4885
US-20150094338-A1 Glucagon Receptor Modulators GLP1R, GCGR, GPR119 GCGR 2/4885GCG 15/4885PSEN1 3218/4885
US-20120165343-A1 Glucagon Receptor Modulators GLP1R, GCGR, GPR119 GCGR 2/4885GCG 15/4885PSEN1 3218/4885
US-20150266861-A1 Glucagon Receptor Modulators GLP1R, GCGR, GPR119 GCGR 2/4885GCG 15/4885PSEN1 3218/4885

“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.