SCHEMBL13993113

SCHEMBL13993113

CC(C)(C)OC(=O)N1CC=C(c2ccc(F)c(C(F)(F)F)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.53
SOS1 Q07889 1/20 0.52
GRM1 Q13255 10/20 0.50
GRM5 P41594 9/20 0.50
PDK4 Q16654 1/20 0.48
TLR7 Q9NYK1 1/20 0.46
CDK7 P50613 1/20 0.45
CDK13 Q14004 1/20 0.45
CDK12 Q9NYV4 1/20 0.45
WDR5 P61964 2/20 0.44
CYP11B2 P19099 1/20 0.44
QDPR P09417 1/20 0.44
ENPP2 Q13822 1/20 0.43

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
SCHEMBL21404018 0.89 NAMPT (0.53) NAMPTSOS1GRM1GRM5PDK4
SCHEMBL6366609 0.89 NAMPT (0.56) NAMPTSOS1GRM1GRM5PDK4
SCHEMBL31174297 0.89 NAMPT (0.56) NAMPTSOS1GRM1GRM5PDK4
SCHEMBL29566392 0.86 NAMPT (0.54) NAMPTSOS1GRM1GRM5PDK4
SCHEMBL24309445 0.86 NAMPT (0.54) NAMPTSOS1GRM1GRM5PDK4
SCHEMBL4892751 0.85 NAMPT (0.53) NAMPTSOS1GRM1GRM5PDK4
SCHEMBL30796169 0.85 NAMPT (0.53) NAMPTSOS1GRM1GRM5PDK4
SCHEMBL27461711 0.85 NAMPT (0.53) NAMPTSOS1GRM1GRM5PDK4
SCHEMBL30736760 0.85 NAMPT (0.52) NAMPTSOS1GRM1GRM5PDK4
SCHEMBL19703158 0.84 QDPR (0.56) NAMPTSOS1GRM1GRM5PDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080318999-A1 Tricyclic Benzimidazoles and Their Use as Metabotropic Glutamate Receptor Modulators ASTRAZENECA AB (SE) 2008-12-25 US disclosed
US-20080318999-A1 Tricyclic Benzimidazoles and Their Use as Metabotropic Glutamate Receptor Modulators ASTRAZENECA AB (SE) 2008-12-25 US disclosed
WO-2007018998-A2 TRICYCLIC BENZIMIDAZOLES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2007-02-15 WO disclosed
US-20070032469-A1 Tricyclic benzimidazoles and their use as metabotropic glutamate receptor modulators ASTRAZENECA AB (SE) 2007-02-08 US disclosed
US-20070032469-A1 Tricyclic benzimidazoles and their use as metabotropic glutamate receptor modulators ASTRAZENECA AB (SE) 2007-02-08 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 (2 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-20070032469-A1 Tricyclic benzimidazoles and their use as metabotropic glutamate receptor modulators GRM2, GRM1, GRIN2B NAMPT 3926/4885SOS1 4700/4885GRM1 2/4885
US-20080318999-A1 Tricyclic Benzimidazoles and Their Use as Metabotropic Glutamate Receptor Modulators GRM2, GRM1, GRIN2B NAMPT 3926/4885SOS1 4700/4885GRM1 2/4885

“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.