SCHEMBL6679459

SCHEMBL6679459

COc1cccc(C2(CCO)C3CC4CC(C3)CC2C4)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.47
KDM1A O60341 1/20 0.43
SLC6A4 P31645 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
FAAH O00519 1/20 0.40
CNR2 P34972 1/20 0.40
SLC22A1 O15245 3/20 0.39
SLC6A2 P23975 2/20 0.39
OPRM1 P35372 2/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39

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
SCHEMBL6684735 0.86 KDM1A (0.47) HSD11B1KDM1ASLC6A4SLC6A2
Hydrochloric Acid SCHEMBL6681754 0.85 KDM1A (0.46) HSD11B1KDM1ASLC6A4SLC6A2
SCHEMBL3023608 0.82 HSD11B1 (0.72) HSD11B1MEN1KMT2AFAAHCNR2
SCHEMBL21002189 0.79 KDM1A (0.49) HSD11B1KDM1ASLC6A4MEN1KMT2A
SCHEMBL30791157 0.79 KDM1A (0.49) HSD11B1KDM1ASLC6A4MEN1KMT2A
SCHEMBL6684564 0.78 HSD11B1 (0.63) HSD11B1MEN1KMT2A
SCHEMBL13216407 0.75 HSD11B1 (0.62) HSD11B1
SCHEMBL21036800 0.74 HSD11B1 (0.44) HSD11B1MEN1KMT2AFAAHCNR2
SCHEMBL21002203 0.72 KMT2A (0.49) HSD11B1KDM1ASLC6A4MEN1KMT2A
SCHEMBL30791158 0.72 KMT2A (0.49) HSD11B1KDM1ASLC6A4MEN1KMT2A

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 1563/4885KDM1A 3313/4885SLC6A4 53/4885

“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.