SCHEMBL1420569

SCHEMBL1420569

CCOC(=O)CCc1c[nH]c2cc(C#N)c(F)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.41
PKM P14618 1/20 0.40
MTNR1A P48039 1/20 0.40
MPO P05164 2/20 0.39
HTR2B P41595 1/20 0.39
NTRK1 P04629 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38

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
SCHEMBL4355671 0.83 HPGD (0.51) CYP2C19MPOHTR2B
SCHEMBL13497613 0.80 GPR84 (0.46) MTNR1AMPO
SCHEMBL10300699 0.80 SMN1; SMN2 (0.47) CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL1420761 0.80 CYP2D6 (0.42) CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL1420424 0.79 CYP1A2 (0.55) CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL1420678 0.77 SMN1; SMN2 (0.45) CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL10300700 0.77 CYP1A2 (0.45) CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL1420268 0.75 CYP4F2 (0.40) CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL1420619 0.75 SMN1; SMN2 (0.45) CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL1420209 0.74 SMN1; SMN2 (0.52) CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8217028-B2 1,2,4-oxadiazole indole compounds GLAXO GROUP LIMITED (GB) 2012-07-10 US disclosed
US-8217028-B2 1,2,4-oxadiazole indole compounds GLAXO GROUP LIMITED (GB) 2012-07-10 US disclosed
US-20110086839-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-04-14 US disclosed
US-20110086839-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-04-14 US disclosed
EP-2297139-A1 COMPOUNDS Glaxo Group Limited (GB) 2011-03-23 EP disclosed
US-20100029729-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-02-04 US disclosed
US-20100010053-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-01-14 US disclosed
WO-2009153307-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-12-23 WO disclosed
WO-2009153307-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-12-23 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 (3 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-20100029729-A1 COMPOUNDS CYP11B2, CYP11B1, GLS2 CYP2D6 9/4885CYP1A2 18/4885CYP3A4 13/4885
US-20100010053-A1 COMPOUNDS CYP11B2, CYP11B1, GLS2 CYP2D6 9/4885CYP1A2 18/4885CYP3A4 13/4885
US-20110086839-A1 COMPOUNDS CYP11B2, CYP11B1, GLS2 CYP2D6 9/4885CYP1A2 18/4885CYP3A4 13/4885

“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.