SCHEMBL1882979

SCHEMBL1882979

COc1cncc(-c2cc3c(c([N+](=O)[O-])c2)N(C)C(=O)CC3)c1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 20/20 0.60
CYP11B1 P15538 18/20 0.60
CYP1A2 P05177 3/20 0.59
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL1885579 0.84 CYP11B2 (0.57) CYP11B2CYP11B1CYP1A2
SCHEMBL1883361 0.84 CYP11B1 (0.57) CYP11B2CYP11B1CYP1A2
SCHEMBL1888907 0.84 CYP11B1 (0.53) CYP11B2CYP11B1CYP1A2
SCHEMBL6910012 0.82 CYP11B2 (0.59) CYP11B2CYP11B1CYP1A2
SCHEMBL14796942 0.82 CYP11B2 (0.53) CYP11B2CYP11B1CYP1A2CYP3A4CYP2C9
SCHEMBL1885891 0.80 CYP11B2 (0.59) CYP11B2CYP11B1CYP1A2CYP3A4CYP2C9
SCHEMBL1883992 0.77 CYP11B2 (0.64) CYP11B2CYP11B1CYP1A2CYP3A4CYP2C9
SCHEMBL1762338 0.76 CYP11B1 (1.00) CYP11B2CYP11B1CYP1A2CYP3A4CYP2C9
SCHEMBL1119367 0.75 CYP11B1 (1.00) CYP11B2CYP11B1CYP1A2CYP3A4CYP2C9
SCHEMBL1883312 0.74 CYP11B2 (0.62) CYP11B2CYP11B1CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2280954-B1 6-PYRIDIN-3-YL-3,4-DIHYDRO-1H-QUINOLIN-2-ONE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE HUMAN ALDOSTERONE SYNTHASE CYP11B2 UNIV SAARLAND (DE) 2013-03-27 EP claimed
US-8541404-B2 Inhibitors of the human aldosterone synthase CYP11B2 ELEXOPHARM GMBH (DE) 2013-09-24 US disclosed
US-8541404-B2 Inhibitors of the human aldosterone synthase CYP11B2 ELEXOPHARM GMBH (DE) 2013-09-24 US disclosed
EP-2280954-B1 6-PYRIDIN-3-YL-3,4-DIHYDRO-1H-QUINOLIN-2-ONE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE HUMAN ALDOSTERONE SYNTHASE CYP11B2 UNIV SAARLAND (DE) 2013-03-27 EP disclosed
US-20110118241-A1 6-Pyridin-3-YL-3,4-Dihydro-1H-Quinolin-2-One Derivatives and Related Compounds as Inhibitors of the Human Aldosterone Synthase CYP11B2 UNIVERSITAT DES SAARLANDES (DE) 2011-05-19 US disclosed
US-20110118241-A1 6-Pyridin-3-YL-3,4-Dihydro-1H-Quinolin-2-One Derivatives and Related Compounds as Inhibitors of the Human Aldosterone Synthase CYP11B2 UNIVERSITAT DES SAARLANDES (DE) 2011-05-19 US disclosed
US-20110112067-A1 Inhibitors of the Human Aldosterone Sythase CYP11B2 UNIVERSITAT DES SAARLANDES (DE) 2011-05-12 US disclosed
US-20110112067-A1 Inhibitors of the Human Aldosterone Sythase CYP11B2 UNIVERSITAT DES SAARLANDES (DE) 2011-05-12 US disclosed
US-20110112067-A1 Inhibitors of the Human Aldosterone Sythase CYP11B2 UNIVERSITAT DES SAARLANDES (DE) 2011-05-12 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-20110118241-A1 6-Pyridin-3-YL-3,4-Dihydro-1H-Quinolin-2-One Derivatives and Related Compounds as Inhibitors of the Human Aldosterone Synthase CYP11B2 HSD11B1, HSD11B2, CYP4A11 CYP11B2 4/4885CYP11B1 6/4885CYP1A2 23/4885
US-20110112067-A1 Inhibitors of the Human Aldosterone Sythase CYP11B2 HSD11B1, HSD11B2, CYP11B1 CYP11B2 4/4885CYP11B1 3/4885CYP1A2 101/4885

“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.