SCHEMBL20001581

SCHEMBL20001581

CC(C)(C)OC(=O)N1CC=C(C#CS(C)(C)C)CC1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 11/20 0.60
ESR2 Q92731 1/20 0.45
PDK4 Q16654 1/20 0.44
GRM1 Q13255 9/20 0.43
NAMPT P43490 1/20 0.41
HTR6 P50406 1/20 0.41
GPR119 Q8TDV5 1/20 0.40
NR1H2 P55055 1/20 0.39
JAK1 P23458 1/20 0.38
CYP11B2 P19099 1/20 0.38

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
SCHEMBL2893138 0.85 GRM5 (0.63) GRM5ESR2PDK4GRM1NAMPT
SCHEMBL3348910 0.82 GRM5 (0.66) GRM5ESR2PDK4GRM1NAMPT
SCHEMBL2893109 0.81 GRM5 (0.58) GRM5ESR2PDK4GRM1NAMPT
SCHEMBL2891556 0.81 GRM5 (0.58) GRM5ESR2PDK4GRM1NAMPT
SCHEMBL743098 0.81 GRM5 (0.58) GRM5ESR2PDK4GRM1NAMPT
SCHEMBL15991177 0.81 GRM5 (0.58) GRM5ESR2PDK4GRM1NAMPT
SCHEMBL14995149 0.80 GRM5 (0.70) GRM5ESR2PDK4GRM1NAMPT
SCHEMBL19989696 0.79 GRM5 (0.69) GRM5ESR2PDK4GRM1NAMPT
SCHEMBL941018 0.78 GRM5 (0.61) GRM5ESR2PDK4GRM1NAMPT
SCHEMBL30437960 0.77 GRM5 (0.54) GRM5ESR2PDK4GRM1NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018062924-A1 TETRAHYDROPYRIDINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS DONG-A ST CO., LTD. (KR) 2018-04-05 WO disclosed
US-20180086709-A1 TETRAHYDROPYRIDINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS DONG-A ST CO., LTD. (KR) 2018-03-29 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-20180086709-A1 TETRAHYDROPYRIDINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS GALE, UGDH, PGLS GRM5 1014/4885ESR2 4278/4885PDK4 1981/4885

“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.