SCHEMBL19989711

SCHEMBL19989711

COC(=O)C(C)(CCN1CC=C(c2ccc(C#CC3CN(C(=O)OC(C)(C)C)C3)cc2)CC1)S(C)(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH2 P05091 3/20 0.42
NAMPT P43490 1/20 0.37
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
LIPC P11150 1/20 0.34
LIPG Q9Y5X9 1/20 0.34
CACNA1G O43497 1/20 0.34
KCNH2 Q12809 1/20 0.34
KDM1A O60341 1/20 0.34
BRD4 O60885 1/20 0.33
PDK4 Q16654 1/20 0.33
WNT3A P56704 1/20 0.33
SCN9A Q15858 1/20 0.33
CDK7 P50613 1/20 0.33
CDK13 Q14004 1/20 0.33
CDK12 Q9NYV4 1/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
DRD3 P35462 1/20 0.33

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
SCHEMBL19989667 0.91 PPARG (0.36) ALDH2PPARGPPARACACNA1GKCNH2
SCHEMBL19989700 0.90 PPARG (0.37) PPARGPPARACACNA1GKCNH2DRD3
SCHEMBL19989684 0.89 PPARG (0.36) PPARGPPARACACNA1GKCNH2DRD3
SCHEMBL19998285 0.87 PPARG (0.37) PPARGPPARACACNA1GKCNH2DRD3
Hydrochloric Acid SCHEMBL19989627 0.86 PPARG (0.37) PPARGPPARACACNA1GKCNH2DRD3
SCHEMBL19989692 0.82 DRD3 (0.40) PPARGPPARACACNA1GKCNH2DRD3
SCHEMBL19989665 0.82
SCHEMBL19989613 0.81 DRD2 (0.40) PPARGPPARACACNA1GKCNH2DRD3
SCHEMBL19989644 0.80
SCHEMBL19989583 0.80 MAPK1 (0.40) PPARGPPARACACNA1GKCNH2DRD3

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 8 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
US-20180086709-A1 TETRAHYDROPYRIDINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS DONG-A ST CO., LTD. (KR) 2018-03-29 US 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 ALDH2 3102/4885NAMPT 94/4885PPARG 2632/4885
US-10160724-B2 Tetrahydropyridine derivatives and their use as antibacterial agents GALE, UGDH, PGLS ALDH2 3102/4885NAMPT 94/4885PPARG 2632/4885

“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.