SCHEMBL19989696

SCHEMBL19989696

CC(C)(C)OC(=O)N1CC=C(C#Cc2ccncc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 12/20 0.69
GRM1 Q13255 10/20 0.53
PDK4 Q16654 1/20 0.44
ESR2 Q92731 1/20 0.43
NAMPT P43490 1/20 0.41
GPR119 Q8TDV5 3/20 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
SCHEMBL14995149 0.89 GRM5 (0.70) GRM5GRM1PDK4ESR2NAMPT
SCHEMBL8142754 0.87 GRM5 (0.59) GRM5GRM1PDK4ESR2NAMPT
SCHEMBL941018 0.87 GRM5 (0.61) GRM5GRM1PDK4ESR2NAMPT
SCHEMBL2893138 0.82 GRM5 (0.63) GRM5GRM1PDK4ESR2NAMPT
SCHEMBL3348910 0.81 GRM5 (0.66) GRM5GRM1PDK4ESR2NAMPT
SCHEMBL4047546 0.81 GRM5 (0.60) GRM5GRM1PDK4ESR2GPR119
SCHEMBL28811006 0.80 GRM5 (0.47) GRM5
SCHEMBL9903364 0.80 GRM5 (0.62) GRM5GRM1PDK4
SCHEMBL8139008 0.80 GRM5 (0.62) GRM5GRM1PDK4ESR2NAMPT
SCHEMBL1863518 0.80 GRM1 (0.67) GRM5GRM1PDK4NAMPTGPR119

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
CN-110088087-B Tetrahydropyridine derivatives and their use as antibacterial agents 东亚ST株式会社 2022-08-09 CN disclosed
EP-3519387-B1 TETRAHYDROPYRIDINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS DONG A ST CO LTD (KR) 2021-08-11 EP disclosed
EP-3519387-A1 TETRAHYDROPYRIDINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS Dong-A ST Co., Ltd. (KR) 2019-08-07 EP disclosed
US-10160724-B2 Tetrahydropyridine derivatives and their use as antibacterial agents DONG-A ST CO., LTD. (KR) 2018-12-25 US disclosed
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 (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-20180086709-A1 TETRAHYDROPYRIDINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS GALE, UGDH, PGLS GRM5 1014/4885GRM1 1124/4885PDK4 1981/4885
US-10160724-B2 Tetrahydropyridine derivatives and their use as antibacterial agents GALE, UGDH, PGLS GRM5 1014/4885GRM1 1124/4885PDK4 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.