SCHEMBL6326368

SCHEMBL6326368

CC1C2CC(CN(Cc3ccccc3)C2)CN1C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.45
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GRIN2B Q13224 1/20 0.40
ACHE P22303 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR5 Q9H228 1/20 0.39
KCNK3 O14649 1/20 0.38
KCNK9 Q9NPC2 1/20 0.38
NR1H2 P55055 2/20 0.38
NR1H3 Q13133 2/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
GPR119 Q8TDV5 2/20 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
SCHEMBL927653 0.87 HSD11B1 (0.55) HSD11B1JAK2JAK1KMT2AL3MBTL1
SCHEMBL6335547 0.85 HSD11B1 (0.51) HSD11B1GRIN2BACHES1PR1S1PR5
SCHEMBL31288362 0.84 JAK2 (0.43) JAK2JAK1KMT2AL3MBTL1GRIN2B
SCHEMBL31282630 0.84 JAK2 (0.43) JAK2JAK1KMT2AL3MBTL1GRIN2B
SCHEMBL6329847 0.84 JAK2 (0.44) JAK2JAK1KMT2AL3MBTL1GRIN2B
SCHEMBL584913 0.81 JAK2 (0.48) HSD11B1JAK2JAK1KMT2AL3MBTL1
SCHEMBL3237901 0.80 HSD11B1 (0.44) HSD11B1JAK2JAK1KMT2AL3MBTL1
SCHEMBL16053284 0.78 KCNK3 (0.55) JAK2JAK1GRIN2BS1PR1S1PR5
SCHEMBL649847 0.78 KCNK3 (0.55) JAK2JAK1GRIN2BS1PR1S1PR5
SCHEMBL584450 0.78 KCNK3 (0.55) JAK2JAK1GRIN2BS1PR1S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050004113-A1 New bispidine compounds useful in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2005-01-06 US disclosed
EP-1192156-B1 BISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2004-02-18 EP 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 (1 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-20050004113-A1 New bispidine compounds useful in the treatment of cardiac arrhythmias DRD2, ADRA1D, KCND2 HSD11B1 2935/4885JAK2 3221/4885JAK1 3512/4885

“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.