SCHEMBL842756

SCHEMBL842756

COc1ccc2c(c1)NC(=O)C(C)(C)C2n1ccnc1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 8/20 0.41
PTPN1 P18031 1/20 0.38
CYP11B1 P15538 4/20 0.37
CYP11B2 P19099 4/20 0.37
HSD11B1 P28845 2/20 0.36
PGR P06401 1/20 0.34
SRC P12931 1/20 0.34
LMNA P02545 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
SCHEMBL841685 0.80 CYP19A1 (0.43) CYP19A1CYP11B2HSD11B1
SCHEMBL841974 0.77 CYP17A1 (0.39) CYP19A1CYP11B1CYP11B2
SCHEMBL843721 0.74 PGR (0.42) HSD11B1PGRSRCLMNA
SCHEMBL1106706 0.71 PTPN1 (0.44) CYP19A1PTPN1CYP11B1CYP11B2
SCHEMBL1098958 0.71 PTPN1 (0.44) CYP19A1PTPN1CYP11B1CYP11B2
SCHEMBL10859613 0.66 CYP19A1 (0.54) CYP19A1PTPN1CYP11B1CYP11B2
SCHEMBL10855526 0.66 CYP19A1 (0.54) CYP19A1PTPN1CYP11B1CYP11B2LMNA
SCHEMBL2822510 0.65 CYP19A1 (0.54) CYP19A1CYP11B2HSD11B1
SCHEMBL2817618 0.65 CYP19A1 (0.54) CYP19A1CYP11B2HSD11B1
SCHEMBL1097187 0.65 CYP19A1 (0.54) CYP19A1CYP11B2HSD11B1

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-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
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 CYP19A1 36/4885PTPN1 2967/4885CYP11B1 1/4885

“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.