Cyclohexane

Cyclohexane

SCHEMBL664618

C1CCCCC1.CC(C)c1cc(C(C)C)c(-c2ccccc2P)c(C(C)C)c1

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.42
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
FABP3 P05413 2/20 0.33
FABP4 P15090 2/20 0.33
FABP5 Q01469 1/20 0.33
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL366622 0.95 GABRA1 (0.37) ROCK2GABRA1GABRB2FABP3FABP4
Biphenyl SCHEMBL29080056 0.91 ROCK2 (0.45) ROCK2
SCHEMBL21989736 0.84 FABP4 (0.46) GABRA1GABRB2FABP3FABP4FABP5
SCHEMBL18938001 0.82 ROCK2 (0.33) ROCK2
SCHEMBL1986951 0.81 RXRA (0.30)
SCHEMBL30317598 0.79 ROCK2 (0.39) ROCK2GABRA1GABRB2FABP3FABP4
SCHEMBL27836256 0.78 GABRA1 (0.41) GABRA1GABRB2
SCHEMBL664028 0.78
Hydrochloric Acid SCHEMBL21331878 0.77 ROCK2 (0.38) ROCK2GABRA1GABRB2FABP3FABP4
SCHEMBL30714841 0.77 ROCK2 (0.58) ROCK2

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-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-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
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 (3 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-20120053197-A1 TRICYCLIC PYRIDINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION CETP, MTTP, CES1 ROCK2 3723/4885GABRA1 4599/4885GABRB2 4691/4885
US-20130053404-A1 Tricyclic pyridine derivatives, medicaments containing such compounds, their use and process for their preparation CETP, MTTP, CES1 ROCK2 3723/4885GABRA1 4599/4885GABRB2 4691/4885
US-20120046304-A1 TRICYCLIC PYRIDINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION CETP, MTTP, CES1 ROCK2 3723/4885GABRA1 4599/4885GABRB2 4691/4885

“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.