SCHEMBL19989692

SCHEMBL19989692

COC(=O)C(C)(CCN1CC=C(c2ccc(C#CCO)cc2)CC1)S(C)(=O)=O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 5/20 0.40
DRD2 P14416 5/20 0.40
DRD4 P21917 5/20 0.40
PPARG P37231 3/20 0.39
PPARA Q07869 3/20 0.39
KDM4E B2RXH2 1/20 0.37
CACNA1G O43497 1/20 0.36
KCNH2 Q12809 1/20 0.36
SIGMAR1 Q99720 4/20 0.36
HTR1A P08908 1/20 0.35
KCNA3 P22001 1/20 0.35

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
SCHEMBL19989613 0.92 DRD2 (0.40) DRD3DRD2DRD4PPARGPPARA
SCHEMBL19989622 0.91 DRD3 (0.42) DRD3DRD2DRD4PPARGPPARA
SCHEMBL19989590 0.90 DRD2 (0.41) DRD3DRD2DRD4PPARGPPARA
SCHEMBL28810919 0.90 DRD2 (0.44) DRD3DRD2DRD4PPARGPPARA
SCHEMBL19989687 0.89
SCHEMBL19989701 0.88 PPARG (0.37) DRD3DRD2DRD4PPARGPPARA
SCHEMBL19989643 0.88 KDM4E (0.40) DRD3DRD2DRD4PPARGPPARA
SCHEMBL19989583 0.87 MAPK1 (0.40) DRD3DRD2DRD4PPARGPPARA
SCHEMBL19989659 0.87 DRD2 (0.40) DRD3DRD2DRD4PPARGPPARA
SCHEMBL23734922 0.87 DRD3 (0.39) DRD3DRD2DRD4PPARGPPARA

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
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

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