SCHEMBL19989639

SCHEMBL19989639

CC(C)(C)OC(=O)N1CC=C(c2ccc(-c3ccccc3)cc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.67
PDK4 Q16654 1/20 0.62
GRM5 P41594 9/20 0.61
GRM1 Q13255 9/20 0.61
HTR6 P50406 1/20 0.56
TNK2 Q07912 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
NPC1 O15118 1/20 0.52
ALDH1A1 P00352 1/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
BTK Q06187 1/20 0.52
KCNH2 Q12809 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51

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
SCHEMBL2239831 0.97 NAMPT (0.66) NAMPTPDK4GRM5GRM1HTR6
SCHEMBL2811392 0.92 PDK4 (0.60) NAMPTPDK4GRM5GRM1HTR6
SCHEMBL18253161 0.90 NAMPT (0.62) NAMPTPDK4GRM5GRM1HTR6
SCHEMBL8912847 0.89 NAMPT (0.63) NAMPTPDK4GRM5GRM1HTR6
SCHEMBL5548551 0.88 NAMPT (0.59) NAMPTPDK4GRM5GRM1HTR6
SCHEMBL904049 0.88 NAMPT (0.61) NAMPTPDK4GRM5GRM1HTR6
SCHEMBL18619842 0.86 NAMPT (0.60) NAMPTPDK4GRM5GRM1HTR6
SCHEMBL2908091 0.86 NAMPT (0.60) NAMPTPDK4GRM5GRM1HTR6
SCHEMBL2594283 0.86 GRM1 (0.65) NAMPTPDK4GRM5GRM1NPC1
SCHEMBL18619845 0.86 NAMPT (0.60) NAMPTPDK4GRM5GRM1HTR6

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 10 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-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
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 NAMPT 94/4885PDK4 1981/4885GRM5 1014/4885
US-10160724-B2 Tetrahydropyridine derivatives and their use as antibacterial agents GALE, UGDH, PGLS NAMPT 94/4885PDK4 1981/4885GRM5 1014/4885

“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.