SCHEMBL837066

SCHEMBL837066

Brc1cnc2cc(-c3ccc(N4CCOCC4)nc3)cnn12

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.53
TDO2 P48775 1/20 0.45
CYP11B2 P19099 1/20 0.44
ERN1 O75460 2/20 0.43
AKR1C3 P42330 1/20 0.43
MAP4K1 Q92918 1/20 0.41
MAP4K4 O95819 1/20 0.41
DGAT1 O75907 1/20 0.41
SOAT1 P35610 1/20 0.41
KCNH2 Q12809 1/20 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
SCHEMBL835807 0.85 FYN (0.45) TDO2MAP4K1MAP4K4DGAT1SOAT1
SCHEMBL2337627 0.74 CNR2 (0.47) CNR2TDO2MAP4K1
SCHEMBL836435 0.74 CNR2 (0.47) CNR2TDO2MAP4K4
SCHEMBL2337615 0.74 CNR2 (0.45) CNR2TDO2ERN1MAP4K1
SCHEMBL1055595 0.73 ALOX15 (0.51) CNR2AKR1C3
SCHEMBL16773016 0.71 CNR2 (0.69) CNR2DGAT1SOAT1KCNH2
SCHEMBL13354353 0.70 CYP11B2 (0.63) CNR2CYP11B2ERN1MAP4K1KCNH2
SCHEMBL1691904 0.70 FLT3 (0.41)
SCHEMBL7294070 0.70 CNR2 (0.62) CNR2MAP4K4KCNH2
SCHEMBL12864090 0.70 CNR2 (0.62) CNR2CYP11B2ERN1

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-8143253-B2 Organic compounds NOVARTIS AG (CH) 2012-03-27 US disclosed
EP-2183027-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-08-31 EP disclosed
US-20100204235-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-08-12 US disclosed
EP-2183027-A1 ORGANIC COMPOUNDS Novartis Ag (CH) 2010-05-12 EP disclosed
WO-2009013335-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-01-29 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-20100204235-A1 ORGANIC COMPOUNDS ALK, OR10J3, FFAR4 CNR2 321/4885TDO2 3322/4885CYP11B2 265/4885

“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.