SCHEMBL19989624

SCHEMBL19989624

CC(CCN1CC=C(c2ccc(-c3ccncc3)cc2)CC1)(C(=O)O)S(C)(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 11/20 0.46
PPARG P37231 2/20 0.43
PPARA Q07869 2/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
KDM4E B2RXH2 1/20 0.41
MMP2 P08253 2/20 0.39
MMP3 P08254 1/20 0.39
KCNA3 P22001 1/20 0.39

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
SCHEMBL19989698 0.89 SIGMAR1 (0.45) SIGMAR1PPARGPPARADRD2DRD4
SCHEMBL19989669 0.89 SLC6A2 (0.45)
SCHEMBL19989668 0.87 PPARG (0.45) SIGMAR1PPARGPPARAKDM4EMMP2
SCHEMBL28811014 0.86 PPARG (0.43) SIGMAR1PPARGPPARAKDM4EMMP2
SCHEMBL28810919 0.82 DRD2 (0.44) SIGMAR1PPARGPPARADRD2DRD4
SCHEMBL19989562 0.80 MAPK1 (0.42) SIGMAR1PPARGPPARADRD2DRD4
SCHEMBL19989620 0.80 SLC6A2 (0.57) KDM4EMMP2MMP3
SCHEMBL28810925 0.79 PPARG (0.43) SIGMAR1PPARGPPARADRD2DRD4
SCHEMBL19989676 0.79 SLC6A2 (0.47)
SCHEMBL19989695 0.79 KDM4E (0.50) SIGMAR1PPARGPPARAKDM4EMMP2

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
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

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 SIGMAR1 1438/4885PPARG 2632/4885PPARA 2923/4885
US-10160724-B2 Tetrahydropyridine derivatives and their use as antibacterial agents GALE, UGDH, PGLS SIGMAR1 1438/4885PPARG 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.