SCHEMBL4400814

SCHEMBL4400814

CCCNCC(O)(CF)CNc1cccc2c1cnn2-c1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 18/20 0.54
PGR P06401 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
TRPV1 Q8NER1 2/20 0.41

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
SCHEMBL12663027 0.93 NR3C1 (0.56) NR3C1PGRCYP3A4CYP2C9TRPV1
SCHEMBL12663246 0.92 NR3C1 (0.54) NR3C1
SCHEMBL476766 0.89 NR3C1 (0.66) NR3C1PGRCYP3A4CYP2C9
SCHEMBL12663030 0.86 NR3C1 (0.54) NR3C1PGRCYP3A4CYP2C9
SCHEMBL12663247 0.84 NR3C1 (0.56) NR3C1
SCHEMBL476735 0.82 NR3C1 (0.68) NR3C1PGRCYP3A4CYP2C9
SCHEMBL4400812 0.82 NR3C1 (0.47) NR3C1PGRCYP3A4CYP2C9TRPV1
SCHEMBL476762 0.81 NR3C1 (0.67) NR3C1
SCHEMBL4396956 0.79 NR3C1 (0.56) NR3C1
SCHEMBL12663031 0.79 NR3C1 (0.56) NR3C1PGRCYP3A4CYP2C9

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
US-7947727-B2 Compounds GlaxoGroupLimited (GB) 2011-05-24 US disclosed
US-20100120883-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-05-13 US disclosed
EP-2081910-A1 NOVEL COMPOUNDS Glaxo Group Limited (GB) 2009-07-29 EP disclosed
WO-2008043789-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-04-17 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-20100120883-A1 NOVEL COMPOUNDS TSLP, LTB4R2, LTB4R NR3C1 267/4885PGR 1065/4885CYP3A4 257/4885

“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.