SCHEMBL1603764

SCHEMBL1603764

NCCC1C2CC3CC(C2)CC1C3

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.41
CYP2C9 P11712 1/20 0.35
GRIN2D O15399 4/20 0.33
GRIN3B O60391 4/20 0.33
GRIN1 Q05586 4/20 0.33
GRIN2A Q12879 4/20 0.33
GRIN2B Q13224 4/20 0.33
GRIN2C Q14957 4/20 0.33
GRIN3A Q8TCU5 4/20 0.33
SIGMAR1 Q99720 1/20 0.32
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30

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 SCHEMBL7527143 0.97 HSD11B1 (0.39) HSD11B1CYP2C9GRIN2DGRIN3BGRIN1
SCHEMBL11715655 0.84 GRIN2D (0.38) HSD11B1CYP2C9GRIN2DGRIN3BGRIN1
SCHEMBL10927896 0.82 GRIN2D (0.40) HSD11B1CYP2C9GRIN2DGRIN3BGRIN1
SCHEMBL906308 0.77 HSD11B1 (0.44) HSD11B1CYP2C9GRIN2DGRIN3BGRIN1
Hydrochloric Acid SCHEMBL2386838 0.74 HSD11B1 (0.42) HSD11B1CYP2C9GRIN2DGRIN3BGRIN1
SCHEMBL11713892 0.73
SCHEMBL190682 0.72 HSD11B1 (0.41) HSD11B1CYP2C9SIGMAR1
SCHEMBL19594418 0.72 HSD11B1 (0.41) HSD11B1CYP2C9SIGMAR1
SCHEMBL7714492 0.72 HSD11B1 (0.41) HSD11B1CYP2C9SIGMAR1
SCHEMBL2747594 0.72 HSD11B1 (0.46) HSD11B1CYP2C9SIGMAR1

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230285569-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF FRAGILE X Design Therapeutics, Inc. 2023-09-14 US disclosed
EP-2578212-B1 COMPOUND INHIBITING ACTIVATION OF THE ENZYME ERK1/2 FOR USE IN THE TREATMENT OF NEUROGENERATIVE ILLNESSES FARMALIDER SA (ES) 2016-07-06 EP disclosed
US-20150291567-A1 TRANSKETALIZED COMPOSITIONS, SYNTHESIS, AND APPLICATIONS GFBIOCHEMICALS LIMITED (MT) 2015-10-15 US disclosed
US-9000047-B2 Compound inhibiting activation of the enzyme Erk 1/2 to be used in the treatment of neurodegenerative illnesses FARMALIDER, S.A. (ES) 2015-04-07 US disclosed
US-20140135455-A1 TRANSKETALIZED COMPOSITIONS, SYNTHESIS, AND APPLICATIONS SEGETIS, INC. (US) 2014-05-15 US disclosed
US-8653223-B2 Transketalized compositions, synthesis, and applications SEGETIS, INC. (US) 2014-02-18 US disclosed
EP-2578212-A1 COMPOUND INHIBITING ACTIVATION OF THE ENZYME ERK1/2 FOR USE IN THE TREATMENT OF NEUROGENERATIVE ILLNESSES Farmalider, S.A. (ES) 2013-04-10 EP disclosed
US-20130065966-A1 Compound Inhibiting Activation of the Enzyme ERK 1/2 To Be Used In The Treatment Of Neurodegenerative Illnesses FARMALIDER, S.A. (ES) 2013-03-14 US disclosed
US-20110082264-A1 TRANSKETALIZED COMPOSITIONS, SYNTHESIS, AND APPLICATIONS SEGETIS, INC. (US) 2011-04-07 US disclosed
WO-2009146202-A2 TRANSKETALIZED COMPOSITIONS, SYNTHESIS, AND APPLICATIONS SEGETIS, INC. (US) 2009-12-03 WO disclosed
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
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
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
US-4064135-A Certain thiazole-5-carboxamide compounds SYNTEX (U.S.A.) INC. (US) 1977-12-20 US disclosed
US-4064258-A Thiazole cardiovascular agents SYNTEX (U.S.A.) INC. (US) 1977-12-20 US 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 (6 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-20140135455-A1 TRANSKETALIZED COMPOSITIONS, SYNTHESIS, AND APPLICATIONS TKT, KHK, KYAT3 HSD11B1 1281/4885CYP2C9 1423/4885GRIN2D 2084/4885
US-20230285569-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF FRAGILE X CYFIP2, TPX2, CYFIP1 HSD11B1 4569/4885CYP2C9 4787/4885GRIN2D 384/4885
US-20130065966-A1 Compound Inhibiting Activation of the Enzyme ERK 1/2 To Be Used In The Treatment Of Neurodegenerative Illnesses MAPK1, BACE1, APP HSD11B1 1974/4885CYP2C9 3407/4885GRIN2D 1604/4885
US-20110082264-A1 TRANSKETALIZED COMPOSITIONS, SYNTHESIS, AND APPLICATIONS TKT, KHK, KYAT3 HSD11B1 1281/4885CYP2C9 1423/4885GRIN2D 2084/4885
US-20030207881-A1 2-adamantylethylamines and their use in the treatment of conditions generally associated with abnormalities in glutamatergic transmission SLC1A2, SLC18A2, GRM2 HSD11B1 1563/4885CYP2C9 913/4885GRIN2D 13/4885
US-20150291567-A1 TRANSKETALIZED COMPOSITIONS, SYNTHESIS, AND APPLICATIONS TKT, KHK, KYAT3 HSD11B1 1281/4885CYP2C9 1423/4885GRIN2D 2084/4885

“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.