SCHEMBL1097963

SCHEMBL1097963

CC(C)OC(=O)c1cncn1C1c2ccccc2C(=O)OC1(C)C

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.74
IDO1 P14902 12/20 0.36
TDO2 P48775 1/20 0.34
TNKS O95271 1/20 0.34
NPC1 O15118 1/20 0.34
MAPK1 P28482 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
CYP3A4 P08684 1/20 0.33
NR3C2 P08235 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33

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
SCHEMBL1098830 0.88 CYP11B2 (0.79) CYP11B2IDO1TNKSMAPK1KDM4E
SCHEMBL1098831 0.88 CYP11B2 (0.79) CYP11B2IDO1TNKSMAPK1KDM4E
SCHEMBL1099042 0.87 CYP11B2 (0.73) CYP11B2IDO1TDO2TNKSCYP3A4
SCHEMBL1097167 0.85 CYP11B2 (0.74) CYP11B2IDO1TDO2TNKS
SCHEMBL1096719 0.85 CYP11B2 (1.00) CYP11B2IDO1KDM4EALDH1A1GLA
SCHEMBL1096622 0.85 CYP11B2 (1.00) CYP11B2IDO1KDM4EALDH1A1GLA
SCHEMBL1097166 0.85 CYP11B2 (0.74) CYP11B2IDO1TDO2TNKS
SCHEMBL1097382 0.85 CYP11B2 (0.73) CYP11B2IDO1TDO2TNKSALDH1A1
SCHEMBL1097778 0.83 CYP11B2 (0.80) CYP11B2IDO1TNKSKDM4ECYP3A4
SCHEMBL1096266 0.81 CYP11B2 (0.69) CYP11B2IDO1TDO2TNKSCYP3A4

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-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-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
US-20090182007-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-07-16 US disclosed
EP-2001866-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2008-12-17 EP disclosed
WO-2007117982-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2007-10-18 WO 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.