SCHEMBL6682813

SCHEMBL6682813

N#CCC12CC3CC(CC(C3)C1Cc1ccccc1)C2

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 6/20 0.36
OPRK1 P41145 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
HPGD P15428 1/20 0.35
HSD11B1 P28845 4/20 0.34
EPHX2 P34913 2/20 0.34
MAPK1 P28482 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
FAAH O00519 1/20 0.32
CNR2 P34972 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
SCHEMBL6684554 0.78 GRIN2D (0.37) P2RX7OPRK1ALDH1A1TSHRHPGD
Hydrochloric Acid SCHEMBL6682911 0.77 OPRK1 (0.38) P2RX7OPRK1ALDH1A1TSHRHPGD
SCHEMBL7057791 0.71 LMNA (0.39) P2RX7ALDH1A1TSHRHPGDHSD11B1
SCHEMBL14288362 0.66 HPGD (0.35) OPRK1ALDH1A1TSHRHPGDHSD11B1
SCHEMBL14267061 0.64 HPGD (0.42) P2RX7OPRK1ALDH1A1TSHRHPGD
SCHEMBL3543497 0.63 HSD11B1 (0.47) HSD11B1EPHX2
SCHEMBL14267070 0.63 HPGD (0.41) P2RX7ALDH1A1HPGDHSD11B1EPHX2
SCHEMBL14267074 0.63 HSD11B1 (0.33) OPRK1ALDH1A1TSHRHPGDHSD11B1
SCHEMBL14288361 0.63 HSD11B1 (0.33) OPRK1ALDH1A1TSHRHPGDHSD11B1
SCHEMBL16573840 0.63 EPHX2 (0.38) P2RX7OPRK1ALDH1A1TSHRHPGD

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 P2RX7 756/4885OPRK1 284/4885ALDH1A1 736/4885

“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.