SCHEMBL6680932

SCHEMBL6680932

NCCC12CC3CC(CC(C3)C1c1ccccc1)C2

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.39
GRIN3B O60391 2/20 0.39
GRIN1 Q05586 2/20 0.39
GRIN2A Q12879 2/20 0.39
GRIN2B Q13224 2/20 0.39
GRIN2C Q14957 2/20 0.39
GRIN3A Q8TCU5 2/20 0.39
HTR2C P28335 9/20 0.37
HTR2B P41595 8/20 0.37
HTR2A P28223 6/20 0.37
MAOB P27338 6/20 0.36
KDM1A O60341 4/20 0.36
MAOA P21397 4/20 0.36
EPHX2 P34913 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
FPR1 P21462 1/20 0.33

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
Hydrochloric Acid SCHEMBL6680842 0.98 HTR2C (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7078031 0.91 GRIN2D (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7085776 0.90 GRIN2D (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL7082027 0.90 GRIN2D (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL7083348 0.88 GRIN2D (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6684561 0.84 EPHX2 (0.36) MAOBKDM1AMAOAEPHX2
Hydrochloric Acid SCHEMBL6683830 0.82 HTR2C (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7813283 0.77 HSD11B1 (0.44) EPHX2
SCHEMBL7079611 0.77 P2RX7 (0.36) EPHX2FPR1
SCHEMBL6680355 0.77 HSD11B1 (0.35) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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 10 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 claimed
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 claimed
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 claimed
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 claimed
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 claimed
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 GRIN2D 13/4885GRIN3B 30/4885GRIN1 8/4885

“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.