SCHEMBL19004673

SCHEMBL19004673

CC(C)(C)[C@@H]1C[C@@H]1C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.43
EPHX1 P07099 2/20 0.38
GRM3 Q14832 2/20 0.35
GAA P10253 2/20 0.33
GABRR1 P24046 4/20 0.30
GABRR2 P28476 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
SCHEMBL18594394 1.00 GRM2 (0.43) GRM2EPHX1GRM3GAAGABRR1
SCHEMBL13823191 1.00 GRM2 (0.43) GRM2EPHX1GRM3GAAGABRR1
SCHEMBL18594378 1.00 GRM2 (0.43) GRM2EPHX1GRM3GAAGABRR1
SCHEMBL18594393 1.00 GRM2 (0.43) GRM2EPHX1GRM3GAAGABRR1
SCHEMBL21082226 1.00 GRM2 (0.43) GRM2EPHX1GRM3GAAGABRR1
SCHEMBL13924805 0.83 EPHX1 (0.41) GRM2EPHX1GRM3GAA
SCHEMBL2515401 0.83 GRM2 (0.42) GRM2EPHX1GRM3GAA
SCHEMBL18717710 0.83 EPHX1 (0.41) GRM2EPHX1GRM3GAA
SCHEMBL29567942 0.78 GRM2 (0.38) GRM2EPHX1GRM3GAA
SCHEMBL12780746 0.77 GRM2 (0.40) GRM2GRM3

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-20170174713-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2017-06-22 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-20170174713-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS GRM2 2918/4885EPHX1 4038/4885GRM3 3056/4885

“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.