SCHEMBL6680351

SCHEMBL6680351

CC(=O)CC12CC3CC(CC(C3)C1c1cccc(C)c1)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 3/20 0.38
RAB9A P51151 1/20 0.38
HSD11B1 P28845 2/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
POLB P06746 1/20 0.37
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
SLC6A4 P31645 1/20 0.35
HTR2B P41595 1/20 0.35
SLC6A3 Q01959 1/20 0.35
OPRK1 P41145 1/20 0.34
MGLL Q99685 1/20 0.34
P2RX7 Q99572 2/20 0.34
HDAC4 P56524 1/20 0.33
AOC1 P19801 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
SCHEMBL6680340 0.80 EPHX2 (0.36) EPHX2SMN1; SMN2LMNARAB9AHSD11B1
Hydrochloric Acid SCHEMBL6683830 0.79 HTR2C (0.45) EPHX2SMN1; SMN2LMNARAB9AHSD11B1
SCHEMBL6682696 0.78 EPHX2 (0.36) EPHX2SMN1; SMN2LMNARAB9AHSD11B1
SCHEMBL6683447 0.78 HTR2C (0.38) EPHX2SMN1; SMN2LMNARAB9AHSD11B1
SCHEMBL6684558 0.78 MEN1 (0.37) EPHX2SMN1; SMN2LMNARAB9AHSD11B1
Hydrochloric Acid SCHEMBL6685217 0.77 HTR2C (0.37) EPHX2SMN1; SMN2LMNARAB9AHSD11B1
Hydrochloric Acid SCHEMBL7054932 0.77 HTR2C (0.43) EPHX2SMN1; SMN2LMNARAB9AHSD11B1
Hydrochloric Acid SCHEMBL6682397 0.77 HTR2C (0.37) EPHX2SMN1; SMN2LMNARAB9AHSD11B1
SCHEMBL7813283 0.74 HSD11B1 (0.44) EPHX2LMNAHSD11B1KMT2AMEN1
Hydrochloric Acid SCHEMBL6681676 0.72 GAA (0.37) EPHX2ALDH1A1MAPTHTR2CP2RX7

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 784/4885SMN1; SMN2 996/4885LMNA 4546/4885

“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.