SCHEMBL19989626

SCHEMBL19989626

COCC#Cc1ccc(C2=CCN(CCC(C)(C(=O)O)S(C)(=O)=O)CC2)cn1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.44
DRD4 P21917 4/20 0.44
DRD3 P35462 4/20 0.44
PPARG P37231 4/20 0.40
PPARA Q07869 4/20 0.40
HTR1A P08908 2/20 0.36
KCNA3 P22001 1/20 0.35
KDM4E B2RXH2 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
SIGMAR1 Q99720 3/20 0.34

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
SCHEMBL19989614 0.91 DRD2 (0.41) DRD2DRD4DRD3
SCHEMBL28810925 0.89 PPARG (0.43) DRD2DRD4DRD3PPARGPPARA
SCHEMBL19989613 0.81 DRD2 (0.40) DRD2DRD4DRD3PPARGPPARA
SCHEMBL19989694 0.79
SCHEMBL28810919 0.78 DRD2 (0.44) DRD2DRD4DRD3PPARGPPARA
SCHEMBL23716667 0.78 DRD2 (0.41) DRD2DRD4DRD3
SCHEMBL19989624 0.78 SIGMAR1 (0.46) DRD2DRD4DRD3PPARGPPARA
SCHEMBL19989668 0.78 PPARG (0.45) PPARGPPARAKCNA3KDM4ESIGMAR1
SCHEMBL28811343 0.77 PPARG (0.42) DRD2DRD4DRD3PPARGPPARA
SCHEMBL19989690 0.76 GRM5 (0.52)

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 3 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
US-10160724-B2 Tetrahydropyridine derivatives and their use as antibacterial agents DONG-A ST CO., LTD. (KR) 2018-12-25 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 1345/4885DRD4 2048/4885DRD3 1596/4885
US-10160724-B2 Tetrahydropyridine derivatives and their use as antibacterial agents GALE, UGDH, PGLS DRD2 1345/4885DRD4 2048/4885DRD3 1596/4885

“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.