SCHEMBL1881963

SCHEMBL1881963

Cc1c(-c2cccnc2)ccc2c1CCC(=O)N2

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.61
PARP11 Q9NR21 1/20 0.61
CYP11B1 P15538 17/20 0.56
CYP11B2 P19099 17/20 0.56
CYP19A1 P11511 9/20 0.56
CYP1A2 P05177 3/20 0.55
CYP2C9 P11712 1/20 0.55
TBXAS1 P24557 1/20 0.55
PDE3B Q13370 1/20 0.55
PDE3A Q14432 1/20 0.55
TDP2 O95551 1/20 0.42
BTK Q06187 1/20 0.41

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
SCHEMBL1877931 0.85 CYP11B1 (0.61) PARP10PARP11CYP11B1CYP11B2CYP19A1
SCHEMBL1877106 0.85 CYP11B1 (0.61) PARP10PARP11CYP11B1CYP11B2CYP19A1
SCHEMBL1880820 0.84 CYP11B1 (0.56) PARP10PARP11CYP11B1CYP11B2CYP19A1
SCHEMBL1874448 0.84 CYP11B1 (0.55) PARP10PARP11CYP11B1CYP11B2CYP19A1
SCHEMBL1875662 0.84 CYP11B1 (0.56) PARP10PARP11CYP11B1CYP11B2CYP19A1
SCHEMBL1878605 0.84 CYP11B1 (0.53) PARP10PARP11CYP11B1CYP11B2CYP19A1
SCHEMBL1881373 0.84 CYP11B1 (0.54) PARP10PARP11CYP11B1CYP11B2CYP19A1
SCHEMBL1879465 0.82 CYP11B1 (0.54) PARP10PARP11CYP11B1CYP11B2CYP19A1
SCHEMBL1879729 0.82 CYP11B1 (0.54) PARP10PARP11CYP11B1CYP11B2CYP19A1
SCHEMBL7990636 0.81 CYP11B1 (0.53) PARP10PARP11CYP11B1CYP11B2CYP19A1

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
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-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 PARP10 1628/4885PARP11 716/4885CYP11B1 6/4885
US-20110112067-A1 Inhibitors of the Human Aldosterone Sythase CYP11B2 HSD11B1, HSD11B2, CYP11B1 PARP10 3478/4885PARP11 2508/4885CYP11B1 3/4885

“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.