SCHEMBL6908620

SCHEMBL6908620

O=C1CCc2cc(-c3cncc4ccccc34)c(F)cc2N1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 17/20 0.67
CYP11B1 P15538 16/20 0.67
CYP2C9 P11712 2/20 0.67
CYP2D6 P10635 1/20 0.67
CYP2B6 P20813 1/20 0.67
CYP2C19 P33261 1/20 0.67
CYP19A1 P11511 4/20 0.46
CYP1A2 P05177 1/20 0.40
TBXAS1 P24557 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
ERN1 O75460 1/20 0.40
KIF11 P52732 1/20 0.39
NPC1 O15118 1/20 0.39
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39

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
SCHEMBL1881574 0.81 CYP11B2 (0.67) CYP11B2CYP11B1CYP2C9CYP2D6CYP2B6
SCHEMBL1120250 0.81 CYP11B1 (1.00) CYP11B2CYP11B1CYP2C9CYP2D6CYP2B6
SCHEMBL6907328 0.78 CYP11B2 (0.66) CYP11B2CYP11B1CYP2C9CYP2D6CYP2B6
SCHEMBL1881770 0.74 CYP11B2 (0.77) CYP11B2CYP11B1CYP2C9CYP19A1CYP1A2
SCHEMBL1884127 0.74 CYP11B1 (0.86) CYP11B2CYP11B1CYP2C9CYP2D6CYP2B6
SCHEMBL1120208 0.71 CYP11B1 (0.77) CYP11B2CYP11B1CYP2C9CYP2D6CYP2B6
SCHEMBL4104017 0.69 CA9 (0.52) CYP11B2CYP11B1CYP2C9CYP19A1CYP1A2
SCHEMBL1883128 0.69 CYP11B1 (0.80) CYP11B2CYP11B1CYP2C9CYP2D6CYP2B6
SCHEMBL1879885 0.69 CYP11B2 (0.55) CYP11B2CYP11B1CYP2C9CYP2D6CYP2B6
SCHEMBL1885061 0.68 CYP11B2 (0.49) CYP11B2CYP11B1CYP2C9CYP2D6CYP2B6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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 6/4885CYP2C9 88/4885
US-20110112067-A1 Inhibitors of the Human Aldosterone Sythase CYP11B2 HSD11B1, HSD11B2, CYP11B1 CYP11B2 4/4885CYP11B1 3/4885CYP2C9 405/4885

“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.