SCHEMBL8068216

SCHEMBL8068216

COc1c(C)ccc2c1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1C2

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD11B1 P28845 2/20 0.39
NPC1 O15118 2/20 0.39
UCHL1 P09936 3/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
DRD2 P14416 5/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
DRD1 P21728 3/20 0.36
RAB9A P51151 1/20 0.36
USP30 Q70CQ3 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
SCHEMBL8057860 1.00 LMNA (0.44) LMNANPSR1HSD11B1NPC1UCHL1
SCHEMBL10034503 1.00 LMNA (0.44) LMNANPSR1HSD11B1NPC1UCHL1
SCHEMBL51067 0.89 HSD11B1 (0.39) LMNANPSR1HSD11B1NPC1UCHL1
SCHEMBL21255627 0.89 HSD11B1 (0.39) LMNANPSR1HSD11B1NPC1UCHL1
SCHEMBL15382598 0.89 HSD11B1 (0.39) LMNANPSR1HSD11B1NPC1UCHL1
SCHEMBL50764 0.89 HSD11B1 (0.39) LMNANPSR1HSD11B1NPC1UCHL1
SCHEMBL50763 0.89 HSD11B1 (0.39) LMNANPSR1HSD11B1NPC1UCHL1
SCHEMBL50762 0.89 HSD11B1 (0.39) LMNANPSR1HSD11B1NPC1UCHL1
SCHEMBL7901664 0.79 DRD2 (0.39) HSD11B1DRD2DRD1
SCHEMBL51116 0.77 DRD2 (0.59) LMNANPSR1HSD11B1NPC1UCHL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108624-A1 TREATMENT OF DYSKINESIA RELATED DISORDERS H. LUNDBECK A/S (DK) 2012-05-03 US disclosed
US-20120077836-A1 METHODS OF ADMINISTERING (4AR,10AR)-1-N-PROPYL-1,2,3,4,4A,5,10,10A-OCTAHYDROBENZO [G] QUINOLINE-6,7-DIOL AND RELATED COMPOUNDS ACROSS THE ORAL MUCOSA, THE NASAL MUCOSA OR THE SKIN AND PHARMACEUTICAL COMPOSITIONS THEREOF H. LUNDBECK A/S (DK) 2012-03-29 US disclosed
WO-2009026934-A1 CATECHOLAMINE DERIVATIVES USEFUL FOR THE TREATMENT OF PARKINSON' S DISEASE H. LUNDBECK A/S (DK) 2009-03-05 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 (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-20120077836-A1 METHODS OF ADMINISTERING (4AR,10AR)-1-N-PROPYL-1,2,3,4,4A,5,10,10A-OCTAHYDROBENZO [G] QUINOLINE-6,7-DIOL AND RELATED COMPOUNDS ACROSS THE ORAL MUCOSA, THE NASAL MUCOSA OR THE SKIN AND PHARMACEUTICAL COMPOSITIONS THEREOF PARK7, SNCA, OPRD1 LMNA 2225/4885NPSR1 186/4885HSD11B1 383/4885
US-20120108624-A1 TREATMENT OF DYSKINESIA RELATED DISORDERS PARK7, ACHE, SNCA LMNA 4136/4885NPSR1 1435/4885HSD11B1 1979/4885

“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.