SCHEMBL769015

SCHEMBL769015

O=C1Cc2cc(-c3cccnc3)ccc2N1C1CC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 16/20 0.55
▸ CYP11B2 P19099 16/20 0.55
▸ CYP1A2 P05177 7/20 0.55
▸ CYP17A1 P05093 1/20 0.55
▸ CYP19A1 P11511 1/20 0.55
▸ CYP2C9 P11712 2/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ BMPR1B O00238 1/20 0.47
▸ BMPR1A P36894 1/20 0.47
▸ ACVRL1 P37023 1/20 0.47
▸ ACVR1 Q04771 1/20 0.47
▸ TDP2 O95551 1/20 0.47
▸ SRD5A1 P18405 1/20 0.46
▸ TBXAS1 P24557 1/20 0.45
▸ PDE3B Q13370 1/20 0.45
▸ PDE3A Q14432 1/20 0.45

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
SCHEMBL14819209 0.80 CYP11B1 (0.59) CYP11B1CYP11B2CYP1A2CYP17A1CYP19A1
SCHEMBL769062 0.80 CYP11B1 (0.78) CYP11B1CYP11B2CYP1A2CYP17A1CYP19A1
SCHEMBL753680 0.77 CYP11B1 (0.73) CYP11B1CYP11B2CYP1A2CYP17A1CYP19A1
SCHEMBL746915 0.77 CYP11B1 (0.80) CYP11B1CYP11B2CYP1A2CYP17A1CYP19A1
SCHEMBL15207803 0.74 CYP11B1 (0.58) CYP11B1CYP11B2CYP1A2CYP17A1CYP19A1
SCHEMBL1119366 0.71 CYP11B2 (1.00) CYP11B1CYP11B2CYP1A2CYP17A1CYP19A1
SCHEMBL5121645 0.70 OPRM1 (0.45) —
SCHEMBL2554375 0.69 OPRM1 (0.69) —
SCHEMBL23524053 0.69 CYP11B1 (0.57) CYP11B1CYP11B2CYP1A2CYP17A1CYP19A1
SCHEMBL9930117 0.69 CYP11B2 (0.48) CYP11B1CYP11B2CYP1A2CYP17A1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102459223-B 5-pyridin-3-yl-1, 3-dihydro-indol-2-one derivatives and their use as aldosterone synthase and/or CYP11B1 modulators NOVARTIS AG 2014-11-05 — — CN disclosed
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-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
CN-102459223-A 5-pyridin-3-yl-1, 3-dihydro-indol-2-one derivatives and their use as aldosterone synthase and/or CYP11B1 modulators NOVARTIS AG 2012-05-16 — — CN 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 CYP11B1 2/4885CYP11B2 1/4885CYP1A2 18/4885
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 CYP11B1 1/4885CYP11B2 3/4885CYP1A2 27/4885

“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.

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