SCHEMBL842649

SCHEMBL842649

CCOC(=O)c1cn(C2c3ccccc3NC(=O)C2(C)C)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP11B2 P19099 1/20 0.39
NOTUM Q6P988 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 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
GABRA2 P47869 3/20 0.35
GABRB2 P47870 3/20 0.35
GABRP O00591 2/20 0.35
GABRD O14764 2/20 0.35
GABRA1 P14867 2/20 0.35
GABRB1 P18505 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35

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
SCHEMBL843720 0.88 MEN1 (0.37) ALDH1A1MAPTCYP11B2MEN1KMT2A
SCHEMBL842710 0.87 NOTUM (0.39) ALDH1A1NOTUMMEN1KMT2ACYP1A2
SCHEMBL842870 0.77 CYP11B2 (0.63) ALDH1A1MAPTL3MBTL1CYP11B2MEN1
SCHEMBL842863 0.75 SNRNP200 (0.38) MEN1KMT2APOLB
SCHEMBL3198003 0.69 KDM4A (0.46) ALDH1A1MAPTNOTUMMEN1KMT2A
SCHEMBL841685 0.69 CYP19A1 (0.43) CYP11B2POLB
SCHEMBL1268993 0.68 NOTUM (0.47) ALDH1A1NOTUMCYP1A2GABRA2GABRB2
SCHEMBL12333458 0.66 CPB2 (0.47) ALDH1A1MAPTNOTUMCYP1A2KDM4E
SCHEMBL28934722 0.66 NOTUM (0.45) ALDH1A1NOTUMKMT2ACYP1A2KDM4E
SCHEMBL12983979 0.66 NOTUM (0.45) ALDH1A1NOTUMCYP1A2GABRA2GABRB2

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 ALDH1A1 142/4885MAPT 978/4885L3MBTL1 4442/4885

“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.