SCHEMBL7153182

SCHEMBL7153182

N=C(NN)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 4/20 0.38
HTT P42858 2/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
MCOLN3 Q8TDD5 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
ALOX12 P18054 1/20 0.36
GRIN2D O15399 3/20 0.36
GRIN3B O60391 3/20 0.36
GRIN1 Q05586 3/20 0.36
GRIN2A Q12879 3/20 0.36
GRIN2B Q13224 3/20 0.36
GRIN2C Q14957 3/20 0.36
GRIN3A Q8TCU5 3/20 0.36
LMNA P02545 2/20 0.36
TSHR P16473 2/20 0.36
SLC22A2 O15244 1/20 0.36
SLC22A1 O15245 1/20 0.36

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
SCHEMBL1238988 0.78 ALDH1A1 (0.35) MEN1KMT2AALDH1A1HTTCRHBP
SCHEMBL6681638 0.74 EPHX2 (0.52) MEN1KMT2AALDH1A1GRIN2DGRIN3B
SCHEMBL1238032 0.72 ALDH1A1 (0.42) MEN1KMT2AALDH1A1HTTCRHBP
SCHEMBL9749719 0.71 ALDH1A1 (0.47) MEN1KMT2AALDH1A1HTTCRHBP
SCHEMBL1552389 0.71 MEN1 (0.63) MEN1KMT2AALDH1A1HTTCRHBP
Hydrochloric Acid SCHEMBL1238887 0.70 LMNA (0.43) MEN1KMT2AALDH1A1HTTCRHBP
Hydrochloric Acid SCHEMBL7110958 0.70 ALDH1A1 (0.43) MEN1KMT2AALDH1A1HTTSMN1; SMN2
Hydrochloric Acid SCHEMBL5680301 0.69 LMNA (0.41) ALDH1A1HTTCRHBPCRHR2MCOLN3
SCHEMBL8920876 0.67 GRIN2D (0.38) MEN1KMT2AALDH1A1SMN1; SMN2GRIN2D
SCHEMBL1238812 0.67 GLA (0.47) KMT2AALDH1A1SMN1; SMN2ALOX12GRIN2D

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 MEN1 751/4885KMT2A 2627/4885ALDH1A1 712/4885

“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.