SCHEMBL19989682

SCHEMBL19989682

CC(CCN1CC=C(c2ccc(C#Cc3cccs3)cc2)CC1)(C(=O)NOC1CCCCO1)S(C)(=O)=O

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.34
HTR1A P08908 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PPARG P37231 2/20 0.31
PPARA Q07869 2/20 0.31
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL19989629 0.88 MEN1 (0.35) DRD4HTR1AMEN1KMT2APPARG
SCHEMBL19989662 0.87 DRD4 (0.35) DRD4HTR1AMEN1KMT2APPARG
SCHEMBL19989693 0.85 DRD4 (0.37) DRD4HTR1AMEN1KMT2ADRD2
SCHEMBL19989674 0.85 MEN1 (0.34) DRD4HTR1AMEN1KMT2APPARG
SCHEMBL19989628 0.85 DRD4 (0.37) DRD4HTR1AMEN1KMT2ADRD2
SCHEMBL19989719 0.84 HTR1A (0.38) DRD4HTR1AMEN1KMT2A
SCHEMBL19989625 0.84 HTR1A (0.37) DRD4HTR1AMEN1KMT2APPARG
SCHEMBL19989675 0.84 SLC6A2 (0.39)
SCHEMBL19989569 0.83 DRD4 (0.35) DRD4HTR1AMEN1KMT2APPARG
SCHEMBL19989716 0.83 DRD2 (0.35) DRD4HTR1AMEN1KMT2APPARG

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 DRD4 2048/4885HTR1A 3055/4885MEN1 4802/4885
US-10160724-B2 Tetrahydropyridine derivatives and their use as antibacterial agents GALE, UGDH, PGLS DRD4 2048/4885HTR1A 3055/4885MEN1 4802/4885

“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.