SCHEMBL16014417

SCHEMBL16014417

CN1C(=O)CCc2cc(-c3cncc(CC(=O)O)c3)ccc21

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 20/20 0.66
▸ CYP11B2 P19099 20/20 0.66
▸ CYP1A2 P05177 2/20 0.61
▸ CYP17A1 P05093 1/20 0.59
▸ CYP19A1 P11511 1/20 0.59

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
SCHEMBL14779569 0.87 CYP11B1 (0.68) CYP11B1CYP11B2CYP1A2CYP17A1CYP19A1
SCHEMBL14778695 0.85 CYP11B1 (0.69) CYP11B1CYP11B2CYP1A2CYP17A1CYP19A1
SCHEMBL14778531 0.85 CYP11B1 (0.68) CYP11B1CYP11B2CYP1A2CYP17A1CYP19A1
SCHEMBL31260005 0.85 CYP11B1 (0.68) CYP11B1CYP11B2CYP1A2CYP17A1CYP19A1
SCHEMBL21518700 0.83 CYP11B1 (0.66) CYP11B1CYP11B2CYP1A2CYP17A1CYP19A1
SCHEMBL14779028 0.82 CYP11B2 (0.61) CYP11B1CYP11B2CYP1A2
SCHEMBL14816646 0.81 CYP11B1 (0.70) CYP11B1CYP11B2CYP1A2CYP17A1CYP19A1
SCHEMBL14789813 0.80 CYP11B1 (0.57) CYP11B1CYP11B2CYP1A2CYP17A1CYP19A1
SCHEMBL31259973 0.80 CYP11B1 (0.57) CYP11B1CYP11B2CYP1A2CYP17A1CYP19A1
SCHEMBL14779494 0.80 CYP11B2 (0.57) 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
EP-2964628-B1 NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES AS ALDOSTERONE SYNTHASE (CYP11B2 OR CYP11B1) INHIBITORS HOFFMANN LA ROCHE (CH) 2019-09-11 — — EP disclosed
EP-2964628-B1 NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES AS ALDOSTERONE SYNTHASE (CYP11B2 OR CYP11B1) INHIBITORS HOFFMANN LA ROCHE (CH) 2019-09-11 — — EP disclosed
US-9458135-B2 Dihydroquinoline-2-one derivatives HOFFMANN-LA ROCHE INC. (US) 2016-10-04 — — US disclosed
US-9458135-B2 Dihydroquinoline-2-one derivatives HOFFMANN-LA ROCHE INC. (US) 2016-10-04 — — US disclosed
US-9458135-B2 Dihydroquinoline-2-one derivatives HOFFMANN-LA ROCHE INC. (US) 2016-10-04 — — US disclosed
EP-2964628-A1 NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES AS ALDOSTERONE SYNTHASE (CYP1 1 B2 OR CYP1 1 B1 ) INHIBITORS F. Hoffmann-La Roche AG (CH) 2016-01-13 — — EP disclosed
US-20160002207-A1 NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2016-01-07 — — US disclosed
US-20160002207-A1 NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2016-01-07 — — US disclosed
US-20160002207-A1 NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2016-01-07 — — US disclosed
WO-2014135561-A1 NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES AS ALDOSTERONE SYNTHASE (CYP1 1 B2 OR CYP1 1 B1 ) INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2014-09-12 — — WO disclosed
WO-2014135561-A1 NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES AS ALDOSTERONE SYNTHASE (CYP1 1 B2 OR CYP1 1 B1 ) INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2014-09-12 — — 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-20160002207-A1 NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES RECQL, QDPR, NDUFC2 CYP11B1 847/4885CYP11B2 684/4885CYP1A2 247/4885

“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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