SCHEMBL768497

SCHEMBL768497

CN1C(=O)Cc2c1ccc(-c1cccnc1)c2OCc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 2/20 0.45
CYP11B1 P15538 4/20 0.45
CYP11B2 P19099 4/20 0.45
CYP19A1 P11511 2/20 0.45
ABL1 P00519 14/20 0.42
CYP3A4 P08684 1/20 0.40

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
SCHEMBL769022 0.89 CYP11B2 (0.48) CYP11B1CYP11B2CYP19A1CYP3A4
SCHEMBL746020 0.87 CYP11B1 (0.58) CYP11B1CYP11B2CYP19A1CYP3A4
SCHEMBL769590 0.86 CYP11B1 (0.48) CYP11B1CYP11B2CYP19A1CYP3A4
SCHEMBL768788 0.84 CYP11B2 (0.49) CYP11B1CYP11B2CYP19A1CYP3A4
SCHEMBL752065 0.81 CYP11B1 (0.58) CYP11B1CYP11B2CYP19A1CYP3A4
SCHEMBL769020 0.80 CYP11B1 (0.49) CYP11B1CYP11B2CYP19A1CYP3A4
SCHEMBL769158 0.80 CYP11B1 (0.44) CYP11B1CYP11B2CYP19A1CYP3A4
SCHEMBL769028 0.79 CYP11B1 (0.45) CYP11B1CYP11B2CYP19A1CYP3A4
SCHEMBL749006 0.78 CYP11B2 (0.54) CYP11B1CYP11B2CYP19A1CYP3A4
SCHEMBL777763 0.78 CYP11B1 (0.44) CYP11B1CYP11B2CYP19A1CYP3A4

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-20140275175-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-09-18 US disclosed
US-20140275175-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-09-18 US disclosed
US-8778972-B2 5-pyridin-3-yl-1, 3-dihydro-indol-2-on derivatives and their use as modulators of aldosterone synthase and/or CYP11B1 NOVARTIS AG (CH) 2014-07-15 US disclosed
US-8778972-B2 5-pyridin-3-yl-1, 3-dihydro-indol-2-on derivatives and their use as modulators of aldosterone synthase and/or CYP11B1 NOVARTIS AG (CH) 2014-07-15 US disclosed
US-8778972-B2 5-pyridin-3-yl-1, 3-dihydro-indol-2-on derivatives and their use as modulators of aldosterone synthase and/or CYP11B1 NOVARTIS AG (CH) 2014-07-15 US disclosed
US-20120071512-A1 5-PYRIDIN-3-YL-1, 3-DIHYDRO-INDOL-2-ON DERIVATIVES AND THEIR USE AS MODULATORS OF ALDOSTERONE SYNTHASE AND/OR CYP11B1 NOVARTIS AG (CH) 2012-03-22 US disclosed
US-20120071512-A1 5-PYRIDIN-3-YL-1, 3-DIHYDRO-INDOL-2-ON DERIVATIVES AND THEIR USE AS MODULATORS OF ALDOSTERONE SYNTHASE AND/OR CYP11B1 NOVARTIS AG (CH) 2012-03-22 US disclosed
US-20120071512-A1 5-PYRIDIN-3-YL-1, 3-DIHYDRO-INDOL-2-ON DERIVATIVES AND THEIR USE AS MODULATORS OF ALDOSTERONE SYNTHASE AND/OR CYP11B1 NOVARTIS AG (CH) 2012-03-22 US 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 (2 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-20140275175-A1 ORGANIC COMPOUNDS CYP11B2, CYP11B1, SLCO1B1 CHRM5 615/4885CYP11B1 2/4885CYP11B2 1/4885
US-20120071512-A1 5-PYRIDIN-3-YL-1, 3-DIHYDRO-INDOL-2-ON DERIVATIVES AND THEIR USE AS MODULATORS OF ALDOSTERONE SYNTHASE AND/OR CYP11B1 CYP11B1, HSD11B1, CYP11B2 CHRM5 1026/4885CYP11B1 1/4885CYP11B2 3/4885

“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.