SCHEMBL842870

SCHEMBL842870

CCOC(=O)c1cncn1C1c2ccccc2NC(=O)C1(C)C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 4/20 0.63
GABRA1 P14867 6/20 0.46
GABRB2 P47870 6/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP11B1 P15538 2/20 0.46
LMNA P02545 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ABCB11 O95342 1/20 0.46
GABRA2 P47869 1/20 0.46
IDO1 P14902 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PKM P14618 1/20 0.36
CACNA1F O60840 1/20 0.36
CACNA1D Q01668 1/20 0.36
CACNA1S Q13698 1/20 0.36
CACNA1C Q13936 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
SCHEMBL842386 0.88 CYP11B2 (0.48) CYP11B2GABRA1GABRB2CYP1A2CYP3A4
SCHEMBL863072 0.87 CYP11B2 (0.52) CYP11B2GABRA1GABRB2CYP1A2CYP3A4
SCHEMBL843195 0.78 CYP11B2 (0.69) CYP11B2IDO1ALDH1A1MAPTL3MBTL1
SCHEMBL1096622 0.77 CYP11B2 (1.00) CYP11B2GABRA1GABRB2CYP1A2CYP3A4
SCHEMBL1096719 0.77 CYP11B2 (1.00) CYP11B2GABRA1GABRB2CYP1A2CYP3A4
SCHEMBL842649 0.77 ALDH1A1 (0.41) CYP11B2GABRA1GABRB2CYP1A2LMNA
SCHEMBL843420 0.75 CYP11B2 (0.39) CYP11B2CYP11B1ALDH1A1MEN1KMT2A
SCHEMBL843144 0.75 CYP11B2 (0.40) CYP11B2CYP11B1ALDH1A1
SCHEMBL2818227 0.71 CYP11B2 (0.58) CYP11B2CYP11B1IDO1ALDH1A1L3MBTL1
SCHEMBL8190143 0.71 CYP11B2 (0.42) CYP11B2

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 6 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-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 3/4885GABRA1 1544/4885GABRB2 1174/4885

“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.