SCHEMBL6684561

SCHEMBL6684561

OCCC12CC3CC(CC(C3)C1c1ccccc1)C2

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.36
KDM1A O60341 3/20 0.36
P2RX7 Q99572 5/20 0.35
OPRK1 P41145 1/20 0.34
ESR1 P03372 1/20 0.34
CYP2C9 P11712 1/20 0.34
ESR2 Q92731 1/20 0.34
HPGD P15428 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MAPK1 P28482 2/20 0.33
ALDH1A1 P00352 2/20 0.33
FAAH O00519 1/20 0.33
GAA P10253 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 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
SCHEMBL6680932 0.84 GRIN2D (0.39) EPHX2KDM1AMAOAMAOB
Hydrochloric Acid SCHEMBL6680842 0.83 HTR2C (0.38) KDM1AMAOAMAOB
SCHEMBL7078031 0.82 GRIN2D (0.42) KDM1ANPC1RAB9AMAOAMAOB
Hydrochloric Acid SCHEMBL7082027 0.81 GRIN2D (0.41) KDM1AMAOAMAOB
SCHEMBL7085776 0.81 GRIN2D (0.44) KDM1ANPC1RAB9AMAOAMAOB
SCHEMBL7813283 0.80 HSD11B1 (0.44) EPHX2P2RX7HPGDMAPK1ALDH1A1
Hydrochloric Acid SCHEMBL7083348 0.80 GRIN2D (0.42) KDM1AMAOAMAOB
SCHEMBL7079611 0.77 P2RX7 (0.36) EPHX2P2RX7HPGDNPC1RAB9A
SCHEMBL6682838 0.77 HSD11B1 (0.38) ALDH1A1KDM4E
SCHEMBL29173828 0.76 P2RX7 (0.63) EPHX2P2RX7

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 EPHX2 784/4885KDM1A 3313/4885P2RX7 756/4885

“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.