SCHEMBL19989640

SCHEMBL19989640

CC(C)(C)OC(=O)N1CC=C(c2ccc(C=C(Br)Br)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.55
PDK4 Q16654 1/20 0.51
GRM1 Q13255 11/20 0.48
GRM5 P41594 11/20 0.48
CDK7 P50613 1/20 0.45
CDK13 Q14004 1/20 0.45
CDK12 Q9NYV4 1/20 0.45
HTR6 P50406 1/20 0.45
CYP11B2 P19099 1/20 0.43
TNK2 Q07912 1/20 0.42
JAK1 P23458 1/20 0.42
BTK Q06187 1/20 0.42

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
SCHEMBL1554789 0.86 NAMPT (0.58) NAMPTPDK4GRM1GRM5CDK7
SCHEMBL29756646 0.84 NAMPT (0.49) NAMPTPDK4GRM1GRM5CDK7
SCHEMBL19989715 0.84 NAMPT (0.49) NAMPTPDK4GRM1GRM5CDK7
SCHEMBL578028 0.84 NAMPT (0.60) NAMPTPDK4GRM1GRM5CDK7
SCHEMBL8912847 0.83 NAMPT (0.63) NAMPTPDK4GRM1GRM5CDK7
SCHEMBL904049 0.82 NAMPT (0.61) NAMPTPDK4GRM1GRM5CDK7
SCHEMBL2908091 0.81 NAMPT (0.60) NAMPTPDK4GRM1GRM5CDK7
SCHEMBL29227506 0.81 NAMPT (0.60) NAMPTPDK4GRM1GRM5CDK7
SCHEMBL18619842 0.81 NAMPT (0.60) NAMPTPDK4GRM1GRM5CDK7
SCHEMBL2594283 0.81 GRM1 (0.65) NAMPTPDK4GRM1GRM5

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 9 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
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 1981/4885GRM1 1124/4885
US-10160724-B2 Tetrahydropyridine derivatives and their use as antibacterial agents GALE, UGDH, PGLS NAMPT 94/4885PDK4 1981/4885GRM1 1124/4885

“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.