SCHEMBL663922

SCHEMBL663922

CC(C)c1nc2c(c(I)c1C(=O)O)C(O)CC(C)(C)C2

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CETP P11597 19/20 0.48
PKM P14618 1/20 0.38

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
SCHEMBL15182458 1.00 CETP (0.48) CETPPKM
SCHEMBL15182452 0.90 CETP (0.48) CETP
SCHEMBL10196397 0.85 CETP (0.45) CETP
SCHEMBL663410 0.84 CETP (0.49) CETP
SCHEMBL662978 0.84 PKM (0.41) CETPPKM
SCHEMBL664376 0.81 CETP (0.39) CETPPKM
SCHEMBL664951 0.80 CETP (0.45) CETP
SCHEMBL664950 0.80 CETP (0.45) CETP
SCHEMBL663767 0.80 CETP (0.49) CETP
SCHEMBL664814 0.80 CETP (0.44) CETP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9029544-B2 Tricyclic pyridine derivatives, medicaments containing such compounds, their use and process for their preparation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-05-12 US disclosed
EP-2536733-B1 TRICYCLIC PYRIDINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION BOEHRINGER INGELHEIM INT (DE) 2014-11-26 EP disclosed
EP-2675811-A1 TRICYCLIC PYRIDINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION Boehringer Ingelheim International GmbH (DE) 2013-12-25 EP disclosed
US-20130210851-A1 Crystalline forms of a hexahydrofuro[3,4-c]quinoline derivative BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-15 US disclosed
US-20130053404-A1 Tricyclic pyridine derivatives, medicaments containing such compounds, their use and process for their preparation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-28 US disclosed
WO-2013024149-A1 CRYSTALLINE FORMS OF OCTAHYDRO-3H-SPIRO [FURO [3, 4-C] QUINOLINE -1, 4 '-PYRAN] -9-OL BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-21 WO disclosed
EP-2536733-A1 TRICYCLIC PYRIDINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION Boehringer Ingelheim International GmbH (DE) 2012-12-26 EP disclosed
WO-2012110599-A1 TRICYCLIC PYRIDINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 WO disclosed
US-20120053197-A1 TRICYCLIC PYRIDINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-01 US disclosed
US-20120046304-A1 TRICYCLIC PYRIDINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-23 US disclosed
WO-2011101424-A1 TRICYCLIC PYRIDINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-25 WO 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 (4 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-20130210851-A1 Crystalline forms of a hexahydrofuro[3,4-c]quinoline derivative H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HTR3C, HTR3D CETP 3279/4885PKM 3466/4885
US-20120053197-A1 TRICYCLIC PYRIDINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION CETP, MTTP, CES1 CETP 1/4885PKM 990/4885
US-20130053404-A1 Tricyclic pyridine derivatives, medicaments containing such compounds, their use and process for their preparation CETP, MTTP, CES1 CETP 1/4885PKM 990/4885
US-20120046304-A1 TRICYCLIC PYRIDINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION CETP, MTTP, CES1 CETP 1/4885PKM 990/4885

“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.