SCHEMBL842758

SCHEMBL842758

CC1(C)CNc2ccccc2C1n1ccnc1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 9/20 0.44
CYP3A4 P08684 1/20 0.33
QPCT Q16769 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
SCHEMBL2817709 0.77 CYP19A1 (0.46) CYP19A1CYP3A4
SCHEMBL2818454 0.77 CYP19A1 (0.46) CYP19A1CYP3A4
SCHEMBL2817712 0.77 CYP19A1 (0.46) CYP19A1CYP3A4
SCHEMBL841685 0.77 CYP19A1 (0.43) CYP19A1
SCHEMBL2824079 0.74 CYP19A1 (0.43) CYP19A1
SCHEMBL2818060 0.74 CYP19A1 (0.43) CYP19A1
SCHEMBL842755 0.72 CYP11B2 (0.52)
SCHEMBL28780708 0.70 CYP19A1 (0.51) CYP19A1CYP3A4
SCHEMBL2822510 0.69 CYP19A1 (0.54) CYP19A1CYP3A4
SCHEMBL2822126 0.69 CYP19A1 (0.46) CYP19A1

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 CYP19A1 36/4885CYP3A4 69/4885QPCT 1856/4885

“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.