SCHEMBL6680340

SCHEMBL6680340

Cc1cccc(C2C3CC4CC(C3)CC2(CC(C)O)C4)c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.36
HTR2C P28335 3/20 0.35
HTR2A P28223 1/20 0.35
SLC6A4 P31645 1/20 0.35
HTR2B P41595 1/20 0.35
SLC6A3 Q01959 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
HSD11B1 P28845 1/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
OPRK1 P41145 1/20 0.32
ADAM17 P78536 1/20 0.32
ADAMTS5 Q9UNA0 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
SCHEMBL6683447 0.88 HTR2C (0.38) EPHX2HTR2CHTR2ASLC6A4HTR2B
SCHEMBL6680351 0.80 EPHX2 (0.41) EPHX2HTR2CHTR2ASLC6A4HTR2B
Hydrochloric Acid SCHEMBL6683830 0.79 HTR2C (0.45) EPHX2HTR2CHTR2ASLC6A4HTR2B
SCHEMBL6684558 0.78 MEN1 (0.37) EPHX2HTR2CHTR2ASLC6A4HTR2B
SCHEMBL6682696 0.78 EPHX2 (0.36) EPHX2HTR2CHTR2ASLC6A4HTR2B
Hydrochloric Acid SCHEMBL7054932 0.77 HTR2C (0.43) EPHX2HTR2CHTR2ASLC6A4HTR2B
Hydrochloric Acid SCHEMBL6682397 0.77 HTR2C (0.37) EPHX2HTR2CHTR2ASLC6A4HTR2B
Hydrochloric Acid SCHEMBL6685217 0.77 HTR2C (0.37) EPHX2HTR2CHTR2ASLC6A4HTR2B
Hydrochloric Acid SCHEMBL6681676 0.72 GAA (0.37) EPHX2HTR2C
SCHEMBL6683992 0.70 HTR2C (0.35) EPHX2HTR2CHTR2ASLC6A4HTR2B

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 784/4885HTR2C 105/4885HTR2A 147/4885

“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.