SCHEMBL19989630

SCHEMBL19989630

CN(C)CC#Cc1ccc(C2=CCN(CCC(C)(C(=O)NOC3CCCCO3)S(C)(=O)=O)CC2)cc1F

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.31
HTR1A P08908 1/20 0.31
DRD4 P21917 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL29756649 1.00 HTR1D (0.31) HTR1DHTR1ADRD4MEN1KMT2A
SCHEMBL20001448 0.90 HTR1D (0.31) HTR1DHTR1ADRD4MEN1KMT2A
SCHEMBL19989657 0.88 HTR1D (0.30) HTR1DHTR1ADRD4
SCHEMBL23735092 0.86 HTR1D (0.31) HTR1DHTR1ADRD4
SCHEMBL29756593 0.85
SCHEMBL19989677 0.85
SCHEMBL19989641 0.83 SIGMAR1 (0.36) HTR1ASIGMAR1
SCHEMBL20025454 0.83 SIGMAR1 (0.37) HTR1DHTR1ASIGMAR1
SCHEMBL19989702 0.83 SIGMAR1 (0.37) SIGMAR1
SCHEMBL29756641 0.83 SIGMAR1 (0.37) SIGMAR1

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 8 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
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 HTR1D 1644/4885HTR1A 3055/4885DRD4 2048/4885
US-10160724-B2 Tetrahydropyridine derivatives and their use as antibacterial agents GALE, UGDH, PGLS HTR1D 1644/4885HTR1A 3055/4885DRD4 2048/4885

“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.