SCHEMBL6684562

SCHEMBL6684562

CNCCC1(c2ccc(C)cc2)C2CC3CC(C2)CC1C3

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 17/20 0.56
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NR1I2 O75469 1/20 0.34

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 SCHEMBL6682399 0.98 HSD11B1 (0.55) HSD11B1ALDH1A1MEN1KMT2ANR1I2
Ammonia Solution, Strong SCHEMBL6683995 0.81 HSD11B1 (0.59) HSD11B1ALDH1A1MEN1KMT2ANR1I2
Hydrochloric Acid SCHEMBL6683445 0.79 HSD11B1 (0.57) HSD11B1ALDH1A1MEN1KMT2ANR1I2
Hydrochloric Acid SCHEMBL6683835 0.79 HSD11B1 (0.57) HSD11B1MEN1KMT2A
Hydrochloric Acid SCHEMBL6681679 0.78 HSD11B1 (0.50) HSD11B1MEN1KMT2A
SCHEMBL6682698 0.78 HSD11B1 (0.56) HSD11B1MEN1KMT2A
Hydrochloric Acid SCHEMBL6685220 0.77 HSD11B1 (0.55) HSD11B1MEN1KMT2A
SCHEMBL6897706 0.77 HSD11B1 (0.62) HSD11B1ALDH1A1MEN1KMT2ANR1I2
Hydrochloric Acid SCHEMBL6901794 0.76 HSD11B1 (0.60) HSD11B1MEN1KMT2A
SCHEMBL7083524 0.73 HSD11B1 (0.57) HSD11B1ALDH1A1MEN1KMT2ANR1I2

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 HSD11B1 1563/4885ALDH1A1 736/4885MEN1 1733/4885

“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.