SCHEMBL19989583

SCHEMBL19989583

COC(=O)C(C)(CCN1CC=C(c2ccc(C#Cc3ccc(N(C)C)cc3)cc2)CC1)S(C)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.40
PPARG P37231 3/20 0.38
PPARA Q07869 3/20 0.38
CACNA1G O43497 1/20 0.37
KCNH2 Q12809 1/20 0.37
KDM4E B2RXH2 1/20 0.36
DRD3 P35462 2/20 0.36
DRD2 P14416 2/20 0.35
DRD4 P21917 2/20 0.35
SIGMAR1 Q99720 5/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HTR1A P08908 1/20 0.35
KCNA3 P22001 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 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
SCHEMBL19989562 0.90 MAPK1 (0.42) MAPK1PPARGPPARAKDM4EDRD3
SCHEMBL19989661 0.89 MAPK1 (0.40) MAPK1
SCHEMBL20025535 0.89 MAPK1 (0.41) MAPK1PPARGPPARAKDM4EDRD3
SCHEMBL19989692 0.87 DRD3 (0.40) PPARGPPARACACNA1GKCNH2KDM4E
SCHEMBL19989613 0.86 DRD2 (0.40) PPARGPPARACACNA1GKCNH2KDM4E
SCHEMBL19989700 0.84 PPARG (0.37) PPARGPPARACACNA1GKCNH2KDM4E
SCHEMBL19998285 0.84 PPARG (0.37) PPARGPPARACACNA1GKCNH2KDM4E
SCHEMBL19989622 0.84 DRD3 (0.42) PPARGPPARACACNA1GKCNH2KDM4E
Hydrochloric Acid SCHEMBL19989627 0.83 PPARG (0.37) PPARGPPARACACNA1GKCNH2KDM4E
SCHEMBL19989590 0.83 DRD2 (0.41) PPARGPPARACACNA1GKCNH2KDM4E

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.