SCHEMBL21580883

SCHEMBL21580883

CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](N)[C@H]2C1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.51
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RECQL P46063 1/20 0.41
HPGD P15428 1/20 0.40
PREP P48147 3/20 0.40
USP30 Q70CQ3 1/20 0.39
GPR119 Q8TDV5 4/20 0.39
EPHX1 P07099 1/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
LIPE Q05469 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37

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
SCHEMBL14746081 1.00 NR1H2 (0.51) NR1H2USP2SMN1; SMN2RECQLHPGD
SCHEMBL30636923 1.00 NR1H2 (0.51) NR1H2USP2SMN1; SMN2RECQLHPGD
SCHEMBL14746082 1.00 NR1H2 (0.51) NR1H2USP2SMN1; SMN2RECQLHPGD
SCHEMBL23700570 1.00 NR1H2 (0.51) NR1H2USP2SMN1; SMN2RECQLHPGD
SCHEMBL23700709 1.00 NR1H2 (0.51) NR1H2USP2SMN1; SMN2RECQLHPGD
SCHEMBL23700653 1.00 NR1H2 (0.51) NR1H2USP2SMN1; SMN2RECQLHPGD
SCHEMBL23700652 1.00 NR1H2 (0.51) NR1H2USP2SMN1; SMN2RECQLHPGD
SCHEMBL23700568 1.00 NR1H2 (0.51) NR1H2USP2SMN1; SMN2RECQLHPGD
SCHEMBL20521886 0.91 NR1H2 (0.49) NR1H2USP2SMN1; SMN2RECQLHPGD
SCHEMBL20521887 0.91 NR1H2 (0.49) NR1H2USP2SMN1; SMN2RECQLHPGD

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230331725-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS, INC. 2023-10-19 US disclosed
US-11780839-B2 Compounds for treating Huntington's disease PTC THERAPEUTICS, INC. (US) 2023-10-10 US disclosed
US-20220112187-A1 PYRAZOLOPYRIDINE AMINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2022-04-14 US disclosed
US-20220112187-A1 PYRAZOLOPYRIDINE AMINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2022-04-14 US disclosed
EP-3802549-A1 NOVEL OXOQUINOLIZINE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION F. Hoffmann-La Roche AG (CH) 2021-04-14 EP disclosed
US-20210024525-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS, INC. 2021-01-28 US disclosed
WO-2019228940-A1 NOVEL OXOQUINOLIZINE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2019-12-05 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 (4 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-20220112187-A1 PYRAZOLOPYRIDINE AMINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE SSB, KCNJ1, KCNJ11 NR1H2 1672/4885USP2 4755/4885SMN1; SMN2 1669/4885
US-20210024525-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE HTT, HYPK, HDAC6 NR1H2 417/4885USP2 2318/4885SMN1; SMN2 84/4885
US-20230331725-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE HTT, HYPK, HDAC6 NR1H2 417/4885USP2 2318/4885SMN1; SMN2 84/4885
US-11780839-B2 Compounds for treating Huntington's disease HTT, HYPK, HDAC6 NR1H2 417/4885USP2 2318/4885SMN1; SMN2 84/4885

“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.