SCHEMBL2817792

SCHEMBL2817792

CC(C)OC(=O)c1cncn1[C@H]1COc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.39
IDO1 P14902 7/20 0.36
MAPK1 P28482 1/20 0.35
LMNA P02545 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
CYP1A2 P05177 3/20 0.34
CYP3A4 P08684 3/20 0.34
GABRA1 P14867 2/20 0.34
GABRB2 P47870 2/20 0.34
CYP11B1 P15538 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
P2RX4 Q99571 1/20 0.34
ABCB11 O95342 1/20 0.34
GABRA2 P47869 1/20 0.34
TDO2 P48775 1/20 0.34

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
SCHEMBL2818099 1.00 CYP11B2 (0.39) CYP11B2IDO1MAPK1LMNAALDH1A1
SCHEMBL2817793 1.00 CYP11B2 (0.39) CYP11B2IDO1MAPK1LMNAALDH1A1
SCHEMBL2818192 0.89 USP1 (0.39) CYP11B2IDO1MAPK1LMNAALDH1A1
SCHEMBL2819823 0.87 MAPK1 (0.42) CYP11B2IDO1MAPK1ALDH1A1MAPT
SCHEMBL2819821 0.87 MAPK1 (0.42) CYP11B2IDO1MAPK1ALDH1A1MAPT
SCHEMBL2817728 0.79 CYP11B2 (0.43) CYP11B2IDO1MAPK1CYP3A4TDO2
SCHEMBL2818506 0.78 CYP11B2 (0.41) CYP11B2IDO1MAPK1LMNAALDH1A1
SCHEMBL2820997 0.77 CYP11B2 (0.41) CYP11B2IDO1CYP3A4TDO2
SCHEMBL2819527 0.77 CYP11B2 (0.36) CYP11B2IDO1MAPK1LMNAALDH1A1
SCHEMBL2820351 0.77 CYP11B2 (0.41) CYP11B2IDO1CYP3A4TDO2

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-8436035-B2 Organic compounds NOVARTIS AG (CH) 2013-05-07 US disclosed
EP-2213668-A2 Imidazoles as aldosterone synthase inhibitors Novartis AG (CH) 2010-08-04 EP disclosed
US-20100048562-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-02-25 US disclosed
EP-2094680-A2 IMIDAZOLES AS ALDOSTERONE SYNTHASE INHIBITORS Novartis AG (CH) 2009-09-02 EP disclosed
WO-2008076336-A2 IMIDAZOLES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2008-06-26 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-20100048562-A1 ORGANIC COMPOUNDS CYP11B1, HSD11B1, CYP17A1 CYP11B2 6/4885IDO1 1361/4885MAPK1 977/4885

“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.