SCHEMBL6682404

SCHEMBL6682404

Cc1ccc(C2(C=O)C3CC4CC(C3)CC2C4)cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 8/20 0.50
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAOB P27338 4/20 0.35
MAOA P21397 2/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
KCNH2 Q12809 1/20 0.34
CYP2A6 P11509 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL13216074 0.82 HSD11B1 (0.54) HSD11B1MEN1KMT2A
SCHEMBL7081973 0.81 HSD11B1 (0.54) HSD11B1MEN1KMT2AMAOBMAOA
SCHEMBL6684045 0.77 HSD11B1 (0.42) HSD11B1MEN1KMT2AMAOBMAOA
SCHEMBL6899610 0.72 HSD11B1 (0.54) HSD11B1MEN1KMT2AMAOBMAOA
SCHEMBL6680354 0.70 HSD11B1 (0.78) HSD11B1MEN1KMT2A
SCHEMBL7083524 0.68 HSD11B1 (0.57) HSD11B1MEN1KMT2A
SCHEMBL6680140 0.68 HSD11B1 (0.46) HSD11B1MEN1KMT2AMAOBMAOA
SCHEMBL6897706 0.68 HSD11B1 (0.62) HSD11B1MEN1KMT2AMAOBMAOA
SCHEMBL17370937 0.68 HSD11B1 (0.50) HSD11B1MEN1KMT2AMAOBMAOA
SCHEMBL13216340 0.67 HSD11B1 (1.00) HSD11B1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6828318-B2 Amines such as 2-(2-(2-phenyl)adamantyl)ethylamine, used as neurotransmitter antagonists, for prophylaxis of neurodegenerative disorders and as analgesics VERNALIS RESEARCH LIMITED (GB) 2004-12-07 US disclosed
EP-1305306-B1 2-ADAMANTYLETHYLAMINES AND THEIR USE IN THE TREATMENT OF CONDITIONS GENERALLY ASSOCIATED WITH ABNORMALITIES IN GLUTAMATERGIC TRANSMISSION VERNALIS RES LTD (GB) 2004-11-24 EP disclosed
US-20030207881-A1 2-adamantylethylamines and their use in the treatment of conditions generally associated with abnormalities in glutamatergic transmission VERNALIS RESEARCH LIMITED (GB) 2003-11-06 US disclosed
EP-1305306-A2 2-ADAMANTYLETHYLAMINES AND THEIR USE IN THE TREATMENT OF CONDITIONS GENERALLY ASSOCIATED WITH ABNORMALITIES IN GLUTAMATERGIC TRANSMISSION VERNALIS RESEARCH LIMITED (GB) 2003-05-02 EP disclosed
WO-2002008219-A2 2-ADAMANTYLETHYLAMINES AND THEIR USE IN THE TREATMENT OF CONDITIONS GENERALLY ASSOCIATED WITH ABNORMALITIES IN GLUTAMATERGIC TRANSMISSION VERNALIS RESEARCH LIMITED (GB) 2002-01-31 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 (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-20030207881-A1 2-adamantylethylamines and their use in the treatment of conditions generally associated with abnormalities in glutamatergic transmission SLC1A2, SLC18A2, GRM2 HSD11B1 1563/4885MEN1 1733/4885KMT2A 1213/4885

“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.