SCHEMBL2244301

SCHEMBL2244301

CCCc1cc2cc(C3(c4ccc(C(=O)OC)cc4)CCC(C(F)(F)F)CC3)cc(Cl)c2o1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.34
NR1H4 Q96RI1 1/20 0.32
PDK1 Q15118 2/20 0.31
PDK2 Q15119 2/20 0.31
PDK3 Q15120 2/20 0.31
PDK4 Q16654 2/20 0.31
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL2248842 0.86 GCGR (0.39)
SCHEMBL2248484 0.76 CNR2 (0.34) CNR2NR1H4PDK1PDK2PDK3
SCHEMBL2247648 0.73 AR (0.36) MAPT
SCHEMBL2250158 0.73 CA1 (0.51) MAPT
SCHEMBL2246402 0.73 RXRA (0.41) MAPT
SCHEMBL2250878 0.69 P2RY6 (0.39) MAPT
SCHEMBL2250845 0.69 FFAR4 (0.39)
SCHEMBL2246638 0.68 SLC2A1 (0.43) MAPTNPSR1
SCHEMBL2244057 0.68 STS (0.44) MAPT
SCHEMBL2241726 0.67 GCGR (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989472-B2 Glucagon receptor antagonist compounds, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. (US) 2011-08-02 US disclosed
US-20090209564-A1 Glucagon Receptor Antagonist Compounds, Compositions Containing Such Compounds And Methods Of Use MERCK & CO., INC. 2009-08-20 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 (1 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-20090209564-A1 Glucagon Receptor Antagonist Compounds, Compositions Containing Such Compounds And Methods Of Use GCGR, GLP1R, GPR119 CNR2 95/4885NR1H4 125/4885PDK1 2216/4885

“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.