SCHEMBL1715069

SCHEMBL1715069

CC12CC3CC(C)(C1)CC(CCN)(C3)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 11/20 1.00
GRIN2A Q12879 11/20 1.00
GRIN2D O15399 10/20 1.00
GRIN3B O60391 10/20 1.00
GRIN2B Q13224 10/20 1.00
GRIN2C Q14957 10/20 1.00
GRIN3A Q8TCU5 10/20 1.00
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
LMNA P02545 2/20 0.48
HTT P42858 2/20 0.48
SLC22A1 O15245 1/20 0.48
ESR1 P03372 1/20 0.48
ADRB3 P13945 1/20 0.48
ACHE P22303 1/20 0.48
OPRK1 P41145 1/20 0.48
MTOR P42345 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48

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
SCHEMBL14696291 0.88 GRIN1 (0.79) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL14696763 0.86 GRIN1 (0.76) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL12858341 0.83 MEN1 (0.96) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL14696464 0.82 GRIN1 (0.69) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL11702337 0.81 GRIN1 (0.68) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL14696219 0.79 GRIN1 (0.66) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL22733053 0.77 GRIN2D (0.60) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL22733065 0.76 GRIN1 (0.59) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL21578006 0.76 GRIN1 (0.67) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL1150391 0.76 GRIN1 (0.61) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8481016-B2 Method for inhibition of potential-dependent cation channel KAO CORPORATION (JP) 2013-07-09 US disclosed
US-20130045177-A1 Method for Inhibition of Potential-Dependent Cation Channel KAO CORPORATION (JP) 2013-02-21 US disclosed
EP-1512679-B1 Novel adamantane derivatives with neuroprotective, antidepressant and anti-ischaemic activities, and process for preparing them ROTTAPHARM SPA (IT) 2011-07-20 EP disclosed
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 (2 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-20130045177-A1 Method for Inhibition of Potential-Dependent Cation Channel TRPM7, TRPM8, OR10J3 GRIN1 215/4885GRIN2A 381/4885GRIN2D 399/4885
US-20050049312-A1 Novel adamantane derivatives with neuroprotective, antidepressant and anti-ischaemic activities,and process for preparing them BDNF, NLN, GAP43 GRIN1 9/4885GRIN2A 14/4885GRIN2D 52/4885

“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.