SCHEMBL12779883

SCHEMBL12779883

CC(C)(C)OC(=O)N1CC(c2nnn[nH]2)C1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
NR1H2 P55055 2/20 0.41
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
EPHX1 P07099 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
NAMPT P43490 1/20 0.38
HPGDS O60760 2/20 0.38
HPGD P15428 1/20 0.38
RORC P51449 1/20 0.38
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL2328081 0.89 HPGDS (0.49) KDM4EEPHX1MAPTTHRBNAMPT
SCHEMBL8405112 0.88 HPGDS (0.50) KDM4EEPHX1MAPTTHRBHPGDS
SCHEMBL459905 0.86 MAPT (0.51) KDM4EEPHX1MAPTTHRBNAMPT
SCHEMBL28934785 0.86 NR1H2 (0.40) KDM4ENR1H2DDB1CRBNMAPT
SCHEMBL30241680 0.86 NR1H2 (0.40) KDM4ENR1H2DDB1CRBNMAPT
SCHEMBL31000675 0.77 PTPN1 (0.39) NR1H2JAK2JAK1
SCHEMBL10254819 0.77 PTPN1 (0.39) NR1H2JAK2JAK1
SCHEMBL1357636 0.77 ALDH1A1 (0.49) MAPTMEN1KMT2A
SCHEMBL1357634 0.77 ALDH1A1 (0.49) MAPTMEN1KMT2A
SCHEMBL27034260 0.76 KDM4E (0.41) KDM4ENR1H2DDB1CRBNMAPT

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
EP-4559911-A1 NOVEL HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION FOR INHIBITING AUTOTAXIN COMPRISING THE SAME Nextgen Bioscience Co., Ltd. (KR) 2025-05-28 EP disclosed
WO-2024019597-A1 NOVEL HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION FOR INHIBITING AUTOTAXIN COMPRISING THE SAME 주식회사 넥스트젠바이오사이언스 2024-01-25 WO disclosed
US-20230381177-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE TES PHARMA S.R.L. (IT) 2023-11-30 US disclosed
US-20210379069-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE TES PHARMA S R L (IT) 2021-12-09 US disclosed
EP-2305660-A1 New thiadiazole derivatives Almirall, S.A. (ES) 2011-04-06 EP disclosed
WO-2011035900-A1 NEW THIADIAZOLE DERIVATIVES ALMIRALL, S.A. (ES) 2011-03-31 WO 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-20230381177-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE ACMSD, GLS, ALDH7A1 KDM4E 1110/4885NR1H2 3493/4885DDB1 2340/4885
US-20210379069-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE ACMSD, GLS, ALDH7A1 KDM4E 1110/4885NR1H2 3493/4885DDB1 2340/4885

“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.