SCHEMBL30012480

SCHEMBL30012480

CC(C)(C)OC(=O)N1CC2(CC(Nc3ccc(C(F)(F)F)nn3)C2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 1/20 0.46
IDH1 O75874 2/20 0.40
IDH2 P48735 1/20 0.40
SYK P43405 1/20 0.39
F13A1 P00488 1/20 0.39
TGM2 P21980 1/20 0.39
TGM1 P22735 1/20 0.39
OXTR P30559 1/20 0.38
AVPR1A P37288 1/20 0.38
KRAS P01116 1/20 0.38
MAPT P10636 2/20 0.38
TNF P01375 2/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
CDK9 P50750 1/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
GPR119 Q8TDV5 3/20 0.37
ALDH1A1 P00352 2/20 0.36
IL1B P01584 1/20 0.36
DDB1 Q16531 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
SCHEMBL25300699 1.00 EHMT2 (0.46) EHMT2IDH1IDH2SYKF13A1
SCHEMBL22797245 0.85 EHMT2 (0.47) EHMT2F13A1TGM2TGM1OXTR
SCHEMBL25297019 0.84 DRD2 (0.41) TNFDRD2DRD3IL1B
SCHEMBL8241521 0.84 ALDH1A1 (0.54) IDH1IDH2SYKMAPTDRD2
SCHEMBL30776008 0.82 KRAS (0.42) EHMT2IDH1IDH2OXTRAVPR1A
SCHEMBL31365779 0.80 OXTR (0.39) EHMT2IDH1IDH2OXTRAVPR1A
SCHEMBL30395790 0.80 GPR119 (0.45) OXTRAVPR1AKRASGPR119
SCHEMBL25255551 0.80 GPR119 (0.45) OXTRAVPR1AKRASGPR119
SCHEMBL30775993 0.80 OXTR (0.39) EHMT2IDH1IDH2OXTRAVPR1A
SCHEMBL30775991 0.80 OXTR (0.39) EHMT2IDH1IDH2OXTRAVPR1A

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
US-20250099448-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2025-03-27 US disclosed
EP-4469446-A1 NEW HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-12-04 EP disclosed
US-20240383904-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2024-11-21 US disclosed
EP-4416154-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-08-21 EP disclosed
CN-118103374-A Heterocyclic compounds 豪夫迈·罗氏有限公司 2024-05-28 CN disclosed
EP-4326714-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-02-28 EP disclosed
CN-117295726-A Heterocyclic compounds 豪夫迈·罗氏有限公司 2023-12-26 CN disclosed
WO-2023144160-A1 NEW HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-08-03 WO disclosed
WO-2023062049-A1 HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-04-20 WO disclosed
WO-2022223750-A1 HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2022-10-27 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-20240383904-A1 HETEROCYCLIC COMPOUNDS MAGI3, MAG, MAGT1 EHMT2 3341/4885IDH1 292/4885IDH2 530/4885
US-20250099448-A1 HETEROCYCLIC COMPOUNDS OPRM1, CYP1A1, CYP3A4 EHMT2 2824/4885IDH1 180/4885IDH2 371/4885

“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.