SCHEMBL4385378

SCHEMBL4385378

CC12CC3CC(C1)CC(NC=O)(C3)C2

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
EPHX2 P34913 8/20 0.45
GRIN2D O15399 3/20 0.42
GRIN3B O60391 3/20 0.42
GRIN1 Q05586 3/20 0.42
GRIN2A Q12879 3/20 0.42
GRIN2B Q13224 3/20 0.42
GRIN2C Q14957 3/20 0.42
GRIN3A Q8TCU5 3/20 0.42
GAA P10253 1/20 0.39
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
HDAC1 Q13547 3/20 0.33
HDAC8 Q9BY41 3/20 0.33
HDAC6 Q9UBN7 3/20 0.33
HDAC3 O15379 2/20 0.33

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
SCHEMBL735328 0.82 GRIN2D (0.59) EPHX2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL14856654 0.82 GRIN2D (0.59) EPHX2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL24106000 0.78 GRIN2D (0.50) EPHX2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1150398 0.77 TSHR (0.56) TSHREPHX2GRIN2DGRIN3BGRIN1
SCHEMBL12943286 0.77 PKM (0.42) EPHX2
SCHEMBL812583 0.77 EPHX2 (0.46) TSHREPHX2GRIN2DGRIN3BGRIN1
SCHEMBL13287394 0.75 GRIN2D (0.65) TSHREPHX2GRIN2DGRIN3BGRIN1
SCHEMBL7713102 0.75 TSHR (0.55) TSHREPHX2GRIN2DGRIN3BGRIN1
Memantine SCHEMBL1377007 0.74 GRIN1 (0.61) EPHX2GRIN2DGRIN3BGRIN1GRIN2A
Acetic Acid SCHEMBL323053 0.74 DPP4 (0.39) TSHREPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1989177-B1 AMIDOADAMANTANES AND METHOD FOR PRODUCING THE SAME UNIV GIESSEN JUSTUS LIEBIG (DE) 2012-08-01 EP disclosed
EP-1989177-B1 AMIDOADAMANTANES AND METHOD FOR PRODUCING THE SAME UNIV GIESSEN JUSTUS LIEBIG (DE) 2012-08-01 EP disclosed
US-20090299096-A1 Amidoadamantanes and Method for Producing the Same JUSTUS-LIEBIG-UNIVERSITAT GIESSEN (DE) 2009-12-03 US disclosed
US-20090299096-A1 Amidoadamantanes and Method for Producing the Same JUSTUS-LIEBIG-UNIVERSITAT GIESSEN (DE) 2009-12-03 US disclosed
US-20090299096-A1 Amidoadamantanes and Method for Producing the Same JUSTUS-LIEBIG-UNIVERSITAT GIESSEN (DE) 2009-12-03 US disclosed
EP-1989177-A1 AMIDOADAMANTANES AND METHOD FOR PRODUCING THE SAME Justus-Liebig-Universität Giessen (DE) 2008-11-12 EP disclosed
WO-2007101535-A1 AMIDOADAMANTANES AND METHOD FOR PRODUCING THE SAME JUSTUS-LIEBIG-UNIVERSITÄT GIESSEN (DE) 2007-09-13 WO disclosed
WO-2007101535-A1 AMIDOADAMANTANES AND METHOD FOR PRODUCING THE SAME JUSTUS-LIEBIG-UNIVERSITÄT GIESSEN (DE) 2007-09-13 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-20090299096-A1 Amidoadamantanes and Method for Producing the Same ADORA3, TAAR5, ADORA1 TSHR 246/4885EPHX2 1578/4885GRIN2D 1051/4885

“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.