SCHEMBL4850819

SCHEMBL4850819

CC(C)(C)OC(=O)N1CC=C(c2nc(-c3ccc(C(F)(F)F)cc3)c(-c3ccc(C(F)(F)F)cc3)[nH]2)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 1/20 0.46
GRM1 Q13255 9/20 0.44
NAMPT P43490 1/20 0.44
GRM5 P41594 8/20 0.44
CDK9 P50750 2/20 0.43
PDK4 Q16654 1/20 0.43
JAK1 P23458 1/20 0.42
MAPK13 O15264 1/20 0.41
RAF1 P04049 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41
KIT P10721 1/20 0.41
CDK7 P50613 1/20 0.41
CDK13 Q14004 1/20 0.41
CDK12 Q9NYV4 1/20 0.41
CNR1 P21554 1/20 0.41

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
SCHEMBL4850634 0.91 GRM1 (0.44) TNK2GRM1NAMPTGRM5CDK9
SCHEMBL4848471 0.84 GRM5 (0.48) TNK2GRM1GRM5
SCHEMBL14019009 0.84 GRM5 (0.49) TNK2GRM1GRM5
SCHEMBL2297459 0.84 NAMPT (0.58) TNK2GRM1NAMPTGRM5PDK4
SCHEMBL4848600 0.81 GRM1 (0.54) GRM1NAMPTGRM5CDK9PDK4
SCHEMBL4847387 0.75 GRM1 (0.50) GRM1NAMPTGRM5CDK9PDK4
SCHEMBL14695387 0.75 HDAC3 (0.47) GRM1NAMPTGRM5PDK4KIT
SCHEMBL14695419 0.75 GPR119 (0.46) GRM1NAMPTGRM5PDK4CDK7
SCHEMBL7838136 0.75 GRM5 (0.55) GRM1NAMPTGRM5PDK4JAK1
SCHEMBL949070 0.74 GRM1 (0.48) TNK2GRM1NAMPTGRM5CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7439360-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-10-21 US disclosed
US-7439360-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-10-21 US disclosed
US-7439360-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-10-21 US disclosed
US-20060084640-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2006-04-20 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-20060084640-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV3, TRPV2 TNK2 2378/4885GRM1 627/4885NAMPT 2649/4885

“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.