SCHEMBL1106689

SCHEMBL1106689

C=Cc1cncn1C1c2ccccc2C(=O)OC12CCC2

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.41
IDO1 P14902 18/20 0.36
TDO2 P48775 4/20 0.36
CYP3A4 P08684 4/20 0.36
CYP2D6 P10635 3/20 0.36
CYP2B6 P20813 3/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL1106695 0.83 CYP11B2 (0.43) CYP11B2IDO1TDO2CYP3A4CYP2D6
SCHEMBL1097865 0.83 CYP11B2 (0.58) CYP11B2IDO1TDO2CYP3A4CYP2D6
SCHEMBL1098362 0.83 CYP11B2 (0.58) CYP11B2IDO1TDO2CYP3A4CYP2D6
SCHEMBL1106700 0.80 CYP11B2 (0.45) CYP11B2IDO1TDO2CYP3A4CYP2D6
SCHEMBL1106696 0.80 CYP11B2 (0.48) CYP11B2IDO1TDO2CYP3A4CYP2D6
SCHEMBL1106703 0.78 CYP11B2 (0.46) CYP11B2IDO1TDO2CYP3A4CYP2D6
SCHEMBL1106691 0.78 CYP11B2 (0.48) CYP11B2IDO1TDO2CYP3A4CYP2D6
SCHEMBL1097375 0.72 CYP11B2 (0.59) CYP11B2IDO1TDO2
SCHEMBL1106698 0.72 CYP11B2 (0.46) CYP11B2IDO1TDO2CYP3A4CYP2D6
SCHEMBL1106694 0.69 CYP11B2 (0.58) CYP11B2IDO1TDO2CYP3A4

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-8153674-B2 Organic compounds NOVARTIS AG (CH) 2012-04-10 US disclosed
US-8153674-B2 Organic compounds NOVARTIS AG (CH) 2012-04-10 US disclosed
US-20090182007-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-07-16 US disclosed
US-20090182007-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-07-16 US disclosed
WO-2007117982-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2007-10-18 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-20090182007-A1 ORGANIC COMPOUNDS REN, CYP17A1, HSD17B1 CYP11B2 28/4885IDO1 2430/4885TDO2 3248/4885

“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.