SCHEMBL990733

SCHEMBL990733

CN1CCN(c2cc(CC(=O)OC(C)(C)C)ccn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WNT1 P04628 2/20 0.46
GSK3B P49841 2/20 0.46
DYRK1A Q13627 2/20 0.46
CLK2 P49760 1/20 0.46
CLK3 P49761 1/20 0.46
HRH4 Q9H3N8 4/20 0.44
AOC3 Q16853 1/20 0.42
HRH3 Q9Y5N1 4/20 0.41
KLKB1 P03952 1/20 0.39
KLK1 P06870 1/20 0.39
ACHE P22303 1/20 0.39
GPR119 Q8TDV5 2/20 0.39
LRRK2 Q5S007 1/20 0.39
KDM4E B2RXH2 2/20 0.39
GRM5 P41594 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRL1 P41146 1/20 0.39

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
SCHEMBL2370510 0.86 WNT1 (0.50) WNT1GSK3BDYRK1ACLK2CLK3
SCHEMBL2370426 0.82 HRH4 (0.50) WNT1GSK3BDYRK1ACLK2CLK3
SCHEMBL991309 0.81 WNT1 (0.49) WNT1GSK3BDYRK1ACLK2CLK3
SCHEMBL2370598 0.80 KDM4E (0.58) WNT1GSK3BDYRK1ACLK2CLK3
SCHEMBL989988 0.77 HTR3A (0.39) HRH4HRH3GPR119WNT3AL3MBTL1
SCHEMBL18924366 0.76 HRH4 (0.52) HRH4HRH3KDM4EALDH1A1HSD17B10
SCHEMBL23048717 0.76 HRH4 (0.55) WNT1GSK3BDYRK1ACLK2CLK3
SCHEMBL29943889 0.75 GPR119 (0.48) AOC3HRH3ACHEGPR119LRRK2
SCHEMBL23640644 0.75 GPR119 (0.48) AOC3HRH3ACHEGPR119LRRK2
SCHEMBL991290 0.74 CYP1A2 (0.40) HRH4HRH3KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1745037-B1 Indolylmaleimide derivatives as inhibitors for the treatment of graft rejection or autoimmune diseases NOVARTIS AG (CH) 2013-01-02 EP disclosed
EP-2270001-A1 Indolylmaleimide derivatives as PKC inhibitors Novartis AG (CH) 2011-01-05 EP disclosed
US-7648989-B2 Indolylmaleimide derivatives as PKC inhibitors NOVARTIS AG (CH) 2010-01-19 US disclosed
US-20080242675-A1 Indolylmaleimide Derivatives as Pkc Inhibitors NOVARTIS AG (CH) 2008-10-02 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-20080242675-A1 Indolylmaleimide Derivatives as Pkc Inhibitors PRKCE, PRKCH, PRKCI WNT1 2335/4885GSK3B 100/4885DYRK1A 475/4885

“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.