SCHEMBL19989562

SCHEMBL19989562

CN(C)c1ccc(C#Cc2ccc(C3=CCN(CCC(C)(C(=O)O)S(C)(=O)=O)CC3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.42
PPARG P37231 3/20 0.42
PPARA Q07869 3/20 0.42
DRD2 P14416 3/20 0.39
DRD4 P21917 3/20 0.39
DRD3 P35462 3/20 0.39
KCNA3 P22001 1/20 0.38
KDM4E B2RXH2 1/20 0.38
SIGMAR1 Q99720 5/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL20025535 0.92 MAPK1 (0.41) MAPK1PPARGPPARADRD2DRD4
SCHEMBL19989583 0.90 MAPK1 (0.40) MAPK1PPARGPPARADRD2DRD4
SCHEMBL19989661 0.90 MAPK1 (0.40) MAPK1
SCHEMBL28810919 0.87 DRD2 (0.44) PPARGPPARADRD2DRD4DRD3
SCHEMBL28810925 0.84 PPARG (0.43) PPARGPPARADRD2DRD4DRD3
SCHEMBL28811903 0.83 DRD2 (0.46) PPARGPPARADRD2DRD4DRD3
SCHEMBL20025216 0.83 MAPK1 (0.46) MAPK1PPARGPPARADRD2DRD4
Hydrochloric Acid SCHEMBL28810954 0.83 PPARG (0.40) PPARGPPARADRD2DRD4DRD3
SCHEMBL28811383 0.83 DRD2 (0.46) PPARGPPARADRD2DRD4DRD3
SCHEMBL23734892 0.82 MAPK1 (0.41) MAPK1PPARGPPARADRD2DRD4

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 7 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
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 MAPK1 1253/4885PPARG 2632/4885PPARA 2923/4885
US-10160724-B2 Tetrahydropyridine derivatives and their use as antibacterial agents GALE, UGDH, PGLS MAPK1 1253/4885PPARG 2632/4885PPARA 2923/4885

“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.