SCHEMBL7105940

SCHEMBL7105940

N#CC12CC3CC(CC(Cl)(C3)C1)C2

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.38
GAA P10253 2/20 0.35
MAPK1 P28482 1/20 0.33
CNR2 P34972 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
SCHEMBL14641099 0.84 PGR (0.32) CNR2
SCHEMBL11089627 0.78 THRB (0.42) THRBGAAMAPK1
SCHEMBL5269244 0.75 THRB (0.48) THRBGAAMAPK1
SCHEMBL16290409 0.74 PKM (0.47)
SCHEMBL3435247 0.74 TSHR (0.37) CNR2
SCHEMBL5805814 0.74 GRIN1 (0.48) THRB
SCHEMBL7111803 0.74 MEN1 (0.31)
SCHEMBL4034053 0.74
SCHEMBL131063 0.73 GRIN2D (0.38) THRBGAA
Hydrochloric Acid SCHEMBL23141301 0.72 GRIN1 (0.47) THRB

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-20030130354-A1 1-(Adamantyl) amidines and their use in the treatment of conditions generally associated with abnormalities in glutamatergic transmission VERNALIS RESEARCH LIMITED 2003-07-10 US disclosed
US-6500866-B1 PROPHYLAXIS OF NEURODEGENERATIVE DISORDERS BY ADMINISTERING N-METHYL-D-ASPARTATE RECEPTOR ANTAGONIST OR PRODRUGS SUCH AS 3,5-DIMETHYL-1-ADAMANTANECARBOXIMIDAMIDE HYDROCHLORIDE VERNALIS RESEARCH LIMITED (GB) 2002-12-31 US disclosed
EP-1037874-B1 1-(ADAMANTYL)AMIDINES AND THEIR USE IN THE TREATMENT OF CONDITIONS GENERALLY ASSOCIATED WITH ABNORMALITIES IN GLUTAMATERGIC TRANSMISSION VERNALIS RES LTD (GB) 2002-10-09 EP disclosed
EP-1037874-A1 1-(ADAMANTYL)AMIDINES AND THEIR USE IN THE TREATMENT OF CONDITIONS GENERALLY ASSOCIATED WITH ABNORMALITIES IN GLUTAMATERGIC TRANSMISSION VERNALIS RESEARCH LIMITED (GB) 2000-09-27 EP disclosed
WO-1999031051-A1 1-(ADAMANTYL)AMIDINES AND THEIR USE IN THE TREATMENT OF CONDITIONS GENERALLY ASSOCIATED WITH ABNORMALITIES IN GLUTAMATERGIC TRANSMISSION CEREBRUS PHARMACEUTICALS LIMITED (GB) 1999-06-24 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-20030130354-A1 1-(Adamantyl) amidines and their use in the treatment of conditions generally associated with abnormalities in glutamatergic transmission SLC1A2, GRIN1, GRM1 THRB 994/4885GAA 1807/4885MAPK1 742/4885

“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.