SCHEMBL9951838

SCHEMBL9951838

COC(=O)c1ccc(NC(CC2CC2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 3/20 0.45
GCG P01275 2/20 0.44
MTTP P55157 3/20 0.42
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
LMNA P02545 1/20 0.39
ITGB1 P05556 1/20 0.39
ITGA4 P13612 1/20 0.39
RPS6KB1 P23443 1/20 0.39
CCR6 P51684 1/20 0.38
HCRTR1 O43613 1/20 0.38
RORC P51449 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGAV P06756 1/20 0.37
ITGB6 P18564 1/20 0.37
CNR1 P21554 1/20 0.37
DEGS1 O15121 1/20 0.37

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
SCHEMBL9951603 0.87 GCGR (0.47) GCGRGCGMTTPALDH1A1CYP1A2
SCHEMBL9950990 0.85 GCGR (0.61) GCGRGCGLMNAITGB1ITGA4
SCHEMBL9951682 0.83 ALDH1A1 (0.43) GCGRGCGALDH1A1CYP1A2CYP3A4
SCHEMBL9951022 0.83 GCGR (0.65) GCGRGCGMTTP
SCHEMBL10263033 0.80 GCGR (0.56) GCGRGCGMTTPALDH1A1CYP1A2
SCHEMBL2648397 0.78 GCK (0.49) MTTPALDH1A1CYP1A2CYP3A4TSHR
SCHEMBL9951339 0.78 GCGR (0.71) GCGRGCGLMNAITGB1ITGA4
SCHEMBL9951398 0.77 GCGR (0.54) GCGRGCGLMNAITGB1ITGA4
SCHEMBL9951401 0.77 GCGR (0.54) GCGRGCGLMNAITGB1ITGA4
SCHEMBL9959428 0.77 GCG (0.48) GCGRGCGMTTPITGB1ITGA4

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 24 patents — showing the first 20. 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-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-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-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-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
US-20120165343-A1 Glucagon Receptor Modulators PFIZER INC. (US) 2012-06-28 US 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

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 15/4885MTTP 1992/4885
US-20150094338-A1 Glucagon Receptor Modulators GLP1R, GCGR, GPR119 GCGR 2/4885GCG 15/4885MTTP 1992/4885
US-20120165343-A1 Glucagon Receptor Modulators GLP1R, GCGR, GPR119 GCGR 2/4885GCG 15/4885MTTP 1992/4885
US-20150266861-A1 Glucagon Receptor Modulators GLP1R, GCGR, GPR119 GCGR 2/4885GCG 15/4885MTTP 1992/4885

“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.