SCHEMBL1877985

SCHEMBL1877985

CCN1C(=O)Cc2cc(-c3cncc(F)c3)ccc21

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACVRL1 P37023 17/20 0.65
ACVR1 Q04771 17/20 0.65
BMPR1A P36894 16/20 0.65
BMPR1B O00238 15/20 0.65
TGFBR1 P36897 12/20 0.65
CYP11B2 P19099 3/20 0.54
CYP11B1 P15538 2/20 0.54
CYP1A2 P05177 1/20 0.54

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
SCHEMBL745958 0.83 ACVRL1 (0.67) ACVRL1ACVR1BMPR1ABMPR1BTGFBR1
SCHEMBL746915 0.81 CYP11B1 (0.80) ACVRL1ACVR1BMPR1ABMPR1BTGFBR1
SCHEMBL22655314 0.79 BMPR1B (1.00) ACVRL1ACVR1BMPR1ABMPR1BTGFBR1
SCHEMBL30404118 0.79 BMPR1B (1.00) ACVRL1ACVR1BMPR1ABMPR1BTGFBR1
SCHEMBL11529967 0.78 BRD4 (0.55) ACVRL1ACVR1BMPR1ABMPR1BTGFBR1
SCHEMBL769456 0.77 ACVRL1 (0.53) ACVRL1ACVR1BMPR1ABMPR1BTGFBR1
SCHEMBL769094 0.71 ACVRL1 (0.66) ACVRL1ACVR1BMPR1ABMPR1BTGFBR1
SCHEMBL22655321 0.71 BMPR1B (1.00) ACVRL1ACVR1BMPR1ABMPR1BTGFBR1
SCHEMBL399175 0.70 BRD4 (0.56) ACVRL1ACVR1BMPR1ABMPR1BTGFBR1
SCHEMBL1119388 0.70 CYP11B2 (1.00) CYP11B2CYP11B1CYP1A2

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 10 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-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 ACVRL1 2633/4885ACVR1 1670/4885BMPR1A 2994/4885
US-20110112067-A1 Inhibitors of the Human Aldosterone Sythase CYP11B2 HSD11B1, HSD11B2, CYP11B1 ACVRL1 3916/4885ACVR1 2946/4885BMPR1A 3356/4885

“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.