SCHEMBL18077752

SCHEMBL18077752

O=C1COCCN1CCOc1cc(=O)n(-c2ccc(OCF)cc2)cc1-c1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.45
HRH3 Q9Y5N1 2/20 0.42
MCHR1 Q99705 4/20 0.42
PRKAB2 O43741 1/20 0.41
PRKAG1 P54619 1/20 0.41
PRKAA2 P54646 1/20 0.41
PRKAA1 Q13131 1/20 0.41
PRKAG3 Q9UGI9 1/20 0.41
PRKAG2 Q9UGJ0 1/20 0.41
PRKAB1 Q9Y478 1/20 0.41
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
KCNH2 Q12809 1/20 0.39
GRM2 Q14416 1/20 0.38
PLA2G7 Q13093 2/20 0.37
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
PER2 O15055 1/20 0.35
CRY2 Q49AN0 1/20 0.35

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
SCHEMBL16474483 0.90 PDK2 (0.48) PDK2HRH3MCHR1PRKAB2PRKAG1
SCHEMBL18077702 0.87 PDK2 (0.44) PDK2HRH3MCHR1PRKAB2PRKAG1
SCHEMBL18077657 0.86 MCHR1 (0.46) PDK2HRH3MCHR1KCNH2PLA2G7
SCHEMBL18077753 0.84 MCHR1 (0.42) HRH3MCHR1KCNH2PLA2G7
SCHEMBL18077712 0.81 MCHR1 (0.53) HRH3MCHR1ADORA2AADORA1KCNH2
SCHEMBL18077683 0.79 HRH3 (0.46) HRH3MCHR1KCNH2
SCHEMBL16474541 0.77 PDK2 (0.46) PDK2MCHR1KCNH2
SCHEMBL16474477 0.77 ADORA2A (0.49) HRH3MCHR1ADORA2AADORA1KCNH2
SCHEMBL16474482 0.76 PDK2 (0.46) PDK2HRH3MCHR1KCNH2PLA2G7
SCHEMBL18812149 0.75 FFAR4 (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160263090-A1 ANTI-FIBROTIC PYRIDINONES GENENTECH, INC. 2016-09-15 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-20160263090-A1 ANTI-FIBROTIC PYRIDINONES MMP1, COL1A1, COL2A1 PDK2 1258/4885HRH3 914/4885MCHR1 4671/4885

“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.