SCHEMBL1878751

SCHEMBL1878751

FC(F)(F)c1cc2c(cc1-c1cccnc1)CCC(=S)N2

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 12/20 0.60
CYP11B2 P19099 12/20 0.60
CYP1A2 P05177 2/20 0.60
CYP19A1 P11511 7/20 0.52
PDE3B Q13370 2/20 0.43
PDE3A Q14432 2/20 0.43
CYP2C9 P11712 1/20 0.43
TBXAS1 P24557 1/20 0.43
CFTR P13569 1/20 0.42
KIF11 P52732 1/20 0.40
CYP3A4 P08684 1/20 0.39
ERN1 O75460 1/20 0.39
NPY5R Q15761 1/20 0.39
S1PR1 P21453 1/20 0.38
CHRM1 P11229 1/20 0.37

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
SCHEMBL1877579 0.86 CYP11B1 (0.72) CYP11B1CYP11B2CYP1A2CYP19A1PDE3B
SCHEMBL1884476 0.84 CYP11B2 (0.64) CYP11B1CYP11B2CYP1A2CYP19A1PDE3B
SCHEMBL1883192 0.81 CYP11B2 (0.64) CYP11B1CYP11B2CYP1A2CYP19A1PDE3B
SCHEMBL1872970 0.81 CYP11B1 (0.64) CYP11B1CYP11B2CYP1A2CYP19A1PDE3B
SCHEMBL12648170 0.81 CYP11B2 (0.60) CYP11B1CYP11B2CYP1A2CYP19A1PDE3B
SCHEMBL1881630 0.79 CYP11B2 (0.75) CYP11B1CYP11B2CYP1A2CYP19A1PDE3B
SCHEMBL1883364 0.78 CYP11B2 (0.70) CYP11B1CYP11B2CYP1A2CYP19A1PDE3B
SCHEMBL1119425 0.76 CYP11B1 (1.00) CYP11B1CYP11B2CYP1A2CYP19A1PDE3B
SCHEMBL1875845 0.76 CYP11B1 (0.53) CYP11B1CYP11B2CYP1A2CYP19A1PDE3B
SCHEMBL1877037 0.70 CYP11B1 (0.55) CYP11B1CYP11B2CYP1A2CYP19A1PDE3B

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
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-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 CYP11B1 6/4885CYP11B2 4/4885CYP1A2 23/4885
US-20110112067-A1 Inhibitors of the Human Aldosterone Sythase CYP11B2 HSD11B1, HSD11B2, CYP11B1 CYP11B1 3/4885CYP11B2 4/4885CYP1A2 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.