SCHEMBL842330

SCHEMBL842330

COC(=O)c1cncn1C1c2ccccc2N(C(=O)C(C)(C)C)CC1(C)C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.42
MAPK1 P28482 1/20 0.39
IDO1 P14902 8/20 0.34
CYP11B1 P15538 1/20 0.31
GPBAR1 Q8TDU6 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
CNR2 P34972 1/20 0.30
GAA P10253 1/20 0.30
TSHR P16473 1/20 0.30
GABRA1 P14867 2/20 0.30
GABRB2 P47870 2/20 0.30
RBP4 P02753 1/20 0.30
NOTUM Q6P988 1/20 0.30

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
SCHEMBL842521 0.87 CYP11B2 (0.43) CYP11B2MAPK1IDO1GAATSHR
SCHEMBL843457 0.83 CYP11B2 (0.41) CYP11B2MAPK1TSHR
SCHEMBL843207 0.82 SMN1; SMN2 (0.42) CYP11B2IDO1CYP11B1MEN1KMT2A
SCHEMBL843010 0.80 CYP11B2 (0.40) CYP11B2MAPK1MEN1KMT2A
SCHEMBL29408788 0.78 CYP11B2 (0.47) CYP11B2MAPK1IDO1CYP11B1GAA
SCHEMBL9493756 0.78 CYP11B2 (0.47) CYP11B2MAPK1IDO1CYP11B1GAA
SCHEMBL68341 0.78 CYP11B2 (0.47) CYP11B2MAPK1IDO1CYP11B1GAA
SCHEMBL9496956 0.78 CYP11B2 (0.47) CYP11B2MAPK1IDO1CYP11B1GAA
SCHEMBL10493983 0.77 CYP11B2 (0.47) CYP11B2MAPK1IDO1CYP11B1GAA
SCHEMBL2820626 0.77 CYP11B2 (0.46) CYP11B2MAPK1IDO1CYP11B1GAA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143278-B2 Organic compounds NOVARTIS AG (CH) 2012-03-27 US disclosed
US-8143278-B2 Organic compounds NOVARTIS AG (CH) 2012-03-27 US disclosed
US-8143278-B2 Organic compounds NOVARTIS AG (CH) 2012-03-27 US disclosed
US-20100093711-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-15 US disclosed
US-20100093711-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-15 US disclosed
US-20100093711-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-15 US disclosed
EP-2121652-A1 4-IMIDAZOLYL-1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES AND THEIR USE AS ALDOSTERONE/11-BETA-HYDROXYLASE INHIBITORS Novartis AG (CH) 2009-11-25 EP disclosed
WO-2008076860-A1 4-IMIDAZOLYL-1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES AND THEIR USE AS ALDOSTERONE/11-BETA-HYDROXYLASE 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-20100093711-A1 ORGANIC COMPOUNDS CYP11B1, HSD11B1, CYP11B2 CYP11B2 3/4885MAPK1 1399/4885IDO1 1639/4885

“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.