SCHEMBL841685

SCHEMBL841685

CC1(C)C(=O)Nc2ccccc2C1n1ccnc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.43
CYP11B2 P19099 1/20 0.38
IDE P14735 1/20 0.35
PDK2 Q15119 1/20 0.34
PDK4 Q16654 1/20 0.34
GSK3B P49841 1/20 0.33
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
ATM Q13315 1/20 0.32
POLB P06746 1/20 0.32
PKM P14618 1/20 0.32
PIK3CD O00329 1/20 0.31
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
CYP17A1 P05093 1/20 0.31
HSD11B1 P28845 1/20 0.31
PDE6D O43924 1/20 0.31
HTR5A P47898 2/20 0.31

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
SCHEMBL841974 0.83 CYP17A1 (0.39) CYP19A1CYP11B2PDE3BPDE3ACYP17A1
SCHEMBL842756 0.80 CYP19A1 (0.41) CYP19A1CYP11B2HSD11B1
SCHEMBL1097187 0.79 CYP19A1 (0.54) CYP19A1CYP11B2HSD11B1
SCHEMBL2817618 0.79 CYP19A1 (0.54) CYP19A1CYP11B2HSD11B1
SCHEMBL2822510 0.79 CYP19A1 (0.54) CYP19A1CYP11B2HSD11B1
SCHEMBL842758 0.77 CYP19A1 (0.44) CYP19A1
SCHEMBL842320 0.75 CYP19A1 (0.42) CYP19A1HSD11B1
SCHEMBL11411045 0.74 CYP19A1 (0.55) CYP19A1IDEGSK3BPOLBHTR5A
SCHEMBL1097340 0.72 CYP19A1 (0.52) CYP19A1CYP11B2IDEGSK3BFNTA
SCHEMBL1097337 0.72 CYP19A1 (0.52) CYP19A1CYP11B2IDEGSK3BFNTA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143278-B2 Organic compounds NOVARTIS AG (CH) 2012-03-27 US claimed
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 36/4885CYP11B2 3/4885IDE 976/4885

“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.