SCHEMBL19989716

SCHEMBL19989716

CC(CCN1CC=C(c2ccc(C#CCCCOC(N)=O)cc2)CC1)(C(=O)NOC1CCCCO1)S(C)(=O)=O

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.35
DRD3 P35462 5/20 0.35
DRD4 P21917 5/20 0.35
HTR1A P08908 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL19989569 0.93 DRD4 (0.35) DRD2DRD3DRD4HTR1APPARG
SCHEMBL19989674 0.92 MEN1 (0.34) DRD2DRD3DRD4HTR1APPARG
SCHEMBL19989628 0.92 DRD4 (0.37) DRD2DRD3DRD4HTR1AMEN1
SCHEMBL19989693 0.92 DRD4 (0.37) DRD2DRD3DRD4HTR1AMEN1
SCHEMBL19989662 0.89 DRD4 (0.35) DRD2DRD3DRD4HTR1APPARG
SCHEMBL19989670 0.86 DRD2 (0.41) DRD2DRD3DRD4
SCHEMBL19989629 0.85 MEN1 (0.35) DRD2DRD3DRD4HTR1APPARG
SCHEMBL20025374 0.84 DRD4 (0.35) DRD2DRD3DRD4HTR1APPARG
SCHEMBL19989625 0.83 HTR1A (0.37) DRD4HTR1APPARGPPARAMEN1
SCHEMBL19989682 0.83 DRD4 (0.34) DRD2DRD3DRD4HTR1APPARG

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 DRD2 1345/4885DRD3 1596/4885DRD4 2048/4885
US-10160724-B2 Tetrahydropyridine derivatives and their use as antibacterial agents GALE, UGDH, PGLS DRD2 1345/4885DRD3 1596/4885DRD4 2048/4885

“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.