SCHEMBL5889282

SCHEMBL5889282

CC(=N)NCCCCC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 16/20 0.56
GRIN2D O15399 2/20 0.47
GRIN3B O60391 2/20 0.47
GRIN1 Q05586 2/20 0.47
GRIN2A Q12879 2/20 0.47
GRIN2B Q13224 2/20 0.47
GRIN2C Q14957 2/20 0.47
GRIN3A Q8TCU5 2/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL5889281 0.95 EPHX2 (0.53) EPHX2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5889279 0.77 EPHX2 (0.53) EPHX2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5889272 0.76 ALDH1A1 (0.57) EPHX2KMT2AALDH1A1MAPT
SCHEMBL13685610 0.75 EPHX2 (0.66) EPHX2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL10957944 0.74 GRIN2D (0.76) EPHX2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL16039630 0.74 KDM4E (0.57) EPHX2MEN1KMT2AALDH1A1
SCHEMBL27599277 0.73 GRIN2D (0.52) EPHX2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5889278 0.72 MEN1 (0.42) EPHX2GRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL1678110 0.71 GRIN2D (0.50) EPHX2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL12931935 0.71 EPHX2 (0.82) EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7145037-B2 Adamantane derivatives with neuroprotective, antidepressant and anti-ischaemic activities, and process for preparing them ROTTA RESEARCH LABORATURIUM S.P.A. (IT) 2006-12-05 US disclosed
EP-1512679-A1 Novel adamantane derivatives with neuroprotective, antidepressant and anti-ischaemic activities, and process for preparing them ROTTA RESEARCH LABORATORIUM S.P.A. (IT) 2005-03-09 EP disclosed
US-20050049312-A1 Novel adamantane derivatives with neuroprotective, antidepressant and anti-ischaemic activities,and process for preparing them ROTTA RESEARCH LABORATORIUM S.P.A. 2005-03-03 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 (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-20050049312-A1 Novel adamantane derivatives with neuroprotective, antidepressant and anti-ischaemic activities,and process for preparing them BDNF, NLN, GAP43 EPHX2 4167/4885GRIN2D 52/4885GRIN3B 10/4885

“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.