SCHEMBL9957902

SCHEMBL9957902

COC(=O)c1ccc(NC(c2cnc(-c3ccc(C(F)(F)F)cc3)nc2)C2CCCC2)nc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GCGR P47871 2/20 0.47
GCG P01275 6/20 0.46
GLP1R P43220 1/20 0.40
GIPR P48546 1/20 0.40
HCRTR1 O43613 1/20 0.39
CTSS P25774 1/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
CCR6 P51684 1/20 0.37
TRPV1 Q8NER1 2/20 0.37
MTTP P55157 2/20 0.37
DEGS1 O15121 1/20 0.36
TRPV3 Q8NET8 1/20 0.36
ITGB1 P05556 1/20 0.36
ITGA4 P13612 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
SCHEMBL10199925 0.99 GCGR (0.46) GCGRGCGGLP1RGIPRHCRTR1
SCHEMBL9951123 0.89 GCGR (0.49) GCGRGCGGLP1RGIPRCTSS
SCHEMBL9951410 0.89 GCGR (0.48) GCGRGCGGLP1RGIPRCTSS
SCHEMBL9951682 0.88 ALDH1A1 (0.43) GCGRGCGGLP1RGIPRHCRTR1
SCHEMBL10262901 0.85 GCGR (0.59) GCGRGCGGLP1RGIPR
SCHEMBL9951103 0.85 GCGR (0.59) GCGRGCGGLP1RGIPR
SCHEMBL10268120 0.85 GCGR (0.59) GCGRGCGGLP1RGIPR
SCHEMBL9950888 0.82 GCGR (0.68) GCGRGCGGLP1RGIPR
SCHEMBL10262852 0.82 GCGR (0.68) GCGRGCGGLP1RGIPR
SCHEMBL10268107 0.82 GCGR (0.68) GCGRGCGGLP1RGIPR

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 10 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-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-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
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

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 15/4885GLP1R 1/4885
US-20150094338-A1 Glucagon Receptor Modulators GLP1R, GCGR, GPR119 GCGR 2/4885GCG 15/4885GLP1R 1/4885
US-20120165343-A1 Glucagon Receptor Modulators GLP1R, GCGR, GPR119 GCGR 2/4885GCG 15/4885GLP1R 1/4885
US-20150266861-A1 Glucagon Receptor Modulators GLP1R, GCGR, GPR119 GCGR 2/4885GCG 15/4885GLP1R 1/4885

“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.