SCHEMBL16017791

SCHEMBL16017791

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.37
GRM8 O00222 1/20 0.37
GRM6 O15303 1/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GSR P00390 1/20 0.37
CYP1A2 P05177 1/20 0.37
GRM5 P41594 1/20 0.37
GRIA1 P42261 1/20 0.37
GRIA2 P42262 1/20 0.37
GRIA3 P42263 1/20 0.37
SLC1A3 P43003 1/20 0.37
SLC1A2 P43004 1/20 0.37
SLC1A1 P43005 1/20 0.37
GRIA4 P48058 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIK2 Q13002 1/20 0.37
GRIK3 Q13003 1/20 0.37
GRIN2B Q13224 1/20 0.37

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
SCHEMBL16017853 1.00 GRIK1 (0.37) GRIK1GRM8GRM6GRIN2DGRIN3B
SCHEMBL18827215 0.86 GRIK1 (0.33) GRIK1GRM8GRM6GRIN2DGRIN3B
SCHEMBL23787489 0.84 SLC1A3 (0.32) GRIK1GRM8GRM6GRIN2DGRIN3B
SCHEMBL13208000 0.83 GRIK1 (0.58) GRIK1GRM8GRM6GRIN2DGRIN3B
SCHEMBL12420329 0.83 CYP1A2 (0.58) GRIK1GRM8GRM6GRIN2DGRIN3B
SCHEMBL12229219 0.83 GRIK1 (0.58) GRIK1GRM8GRM6GRIN2DGRIN3B
SCHEMBL16841491 0.83 GRIK1 (0.37) GRIK1GRM8GRM6GRIN2DGRIN3B
SCHEMBL12420333 0.83 ALDH1A1 (0.38) GRIK1GRM8GRM6GRIN2DGRIN3B
SCHEMBL21427150 0.83 CYP1A2 (0.58) GRIK1GRM8GRM6GRIN2DGRIN3B
SCHEMBL16185835 0.83 GRIK1 (0.37) GRIK1GRM8GRM6GRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140256694-A1 STEROID ANTIBIOTIC CONJUGATES ALLERGAN, INC. (US) 2014-09-11 US disclosed
US-20140256660-A1 ANTIBIOTIC CONJUGATES LINKED WITH STEROID DRUGS ALLERGAN, INC. (US) 2014-09-11 US disclosed
US-20140256696-A1 Steroid conjugates ALLERGAN, INC. (US) 2014-09-11 US disclosed
US-20140256651-A1 Cyclosporine A steroid conjugates ALLERGAN, INC. (US) 2014-09-11 US disclosed
US-20140256658-A1 Antibiotic Conjugates ALLERGAN, INC. (US) 2014-09-11 US disclosed
US-20140256666-A1 ANTIBIOTIC CONJUGATES WITH NONSTEROIDAL ANTI-INFLAMMATORY DRUGS ALLERGAN, INC. (US) 2014-09-11 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 (6 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-20140256666-A1 ANTIBIOTIC CONJUGATES WITH NONSTEROIDAL ANTI-INFLAMMATORY DRUGS MMP17, NAALAD2, DNPEP GRIK1 2841/4885GRM8 4205/4885GRM6 3982/4885
US-20140256694-A1 STEROID ANTIBIOTIC CONJUGATES CYP17A1, CYP21A2, HSD17B1 GRIK1 3276/4885GRM8 4471/4885GRM6 4248/4885
US-20140256660-A1 ANTIBIOTIC CONJUGATES LINKED WITH STEROID DRUGS CYP21A2, CYP17A1, CYP46A1 GRIK1 1958/4885GRM8 3586/4885GRM6 3421/4885
US-20140256658-A1 Antibiotic Conjugates NAALAD2, DNPEP, ENGASE GRIK1 4022/4885GRM8 4500/4885GRM6 4186/4885
US-20140256696-A1 Steroid conjugates CYP21A2, CYP17A1, HSD17B2 GRIK1 1365/4885GRM8 2681/4885GRM6 2530/4885
US-20140256651-A1 Cyclosporine A steroid conjugates CYP21A2, CHP1, CYP51A1 GRIK1 4546/4885GRM8 4743/4885GRM6 4808/4885

“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.