SCHEMBL793727

SCHEMBL793727

CC(C)COC(=O)N1CCCC(N)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.51
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
DGAT2 Q96PD7 1/20 0.40
HSD11B1 P28845 1/20 0.39
HTT P42858 1/20 0.38
TSHR P16473 2/20 0.37
GAA P10253 2/20 0.37
KDM1A O60341 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
PRMT5 O14744 2/20 0.37
WDR77 Q9BQA1 2/20 0.37
HDAC2 Q92769 1/20 0.35
MMP1 P03956 1/20 0.35
MMP8 P22894 1/20 0.35
NOS3 P29474 1/20 0.35

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
SCHEMBL3400107 0.91 RAB9A (0.47) RAB9AJAK2JAK1MEN1HPGD
SCHEMBL4074760 0.88 RAB9A (0.51) RAB9AJAK2JAK1MEN1HPGD
SCHEMBL3467786 0.84 GAA (0.51) HTTTSHRGAAALDH1A1NOS3
SCHEMBL27971402 0.84 GAA (0.51) HTTTSHRGAAALDH1A1NOS3
SCHEMBL2229068 0.84 RAB9A (0.44) RAB9AJAK2JAK1MEN1HPGD
SCHEMBL24131317 0.83 RAB9A (0.52) RAB9AJAK2JAK1MEN1HPGD
SCHEMBL6420173 0.83 RAB9A (0.52) RAB9AJAK2JAK1MEN1HPGD
SCHEMBL21675619 0.82 RAB9A (0.49) RAB9AJAK2JAK1MEN1HPGD
SCHEMBL5262093 0.82 RAB9A (0.49) RAB9AJAK2JAK1MEN1HPGD
SCHEMBL793658 0.81 RAB9A (0.49) RAB9AJAK2JAK1MEN1HPGD

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-9345708-B2 Inhibitors of influenza viruses replication VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-05-24 US disclosed
WO-2012035055-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-03-22 WO disclosed
WO-2011149841-A1 SUBSTITUTED THIAZOLIDINEDIONE INDAZOLES, INDOLES AND BENZOTRIAZOLES AS ESTROGEN-RELATED RECEPTOR-α MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-12-01 WO disclosed
US-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-02-11 US disclosed
WO-2009047240-A1 INDOLE DERIVATIVES USEFUL AS PPAR ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2009-04-16 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-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF IDO2, IDO1, INMT RAB9A 3211/4885JAK2 274/4885JAK1 758/4885

“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.