SCHEMBL4556512

SCHEMBL4556512

COc1cc(-c2cn[nH]c2)cc2c1OC[C@H]1[C@@H]2Nc2ccc(CP(=O)(O)O)cc2C1(C)C

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 19/20 0.34
AKT1 P31749 1/20 0.34
ROCK1 Q13464 8/20 0.34
ERN1 O75460 1/20 0.32

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
SCHEMBL4869562 0.85 ROCK2 (0.33) ROCK2AKT1ROCK1ERN1
SCHEMBL4598657 0.85 CACNA1C (0.32)
SCHEMBL4442827 0.85 CACNA1C (0.32)
SCHEMBL4556510 0.83 ROCK2 (0.40) ROCK2AKT1ROCK1
SCHEMBL4554649 0.82 ROCK2 (0.34) ROCK2AKT1ROCK1
SCHEMBL4556214 0.80 ROCK2 (0.34) ROCK2AKT1
SCHEMBL4556418 0.80 ROCK2 (0.34) ROCK2AKT1
SCHEMBL4554181 0.80 ROCK2 (0.34) ROCK2AKT1
SCHEMBL14146724 0.80 ROCK2 (0.34) ROCK2AKT1
SCHEMBL4598842 0.75 HCRTR1 (0.31)

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-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABELMAN MATTHEW 2008-11-27 US claimed
EP-1907395-A1 ABCA1 ELEVATING COMPOUNDS CV THERAPEUTICS, INC. (US) 2008-04-09 EP claimed
US-20070010544-A1 ABCA1 elevating compounds CV THERAPEUTICS, INC. 2007-01-11 US claimed
WO-2007002867-A1 ABCA1 ELEVATING COMPOUNDS CV THERAPEUTICS, INC. (US) 2007-01-04 WO claimed
EP-2125825-A1 ABCA1 ELEVATING COMPOUNDS CV THERAPEUTICS, INC. (US) 2009-12-02 EP disclosed
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABELMAN MATTHEW 2008-11-27 US disclosed
US-7423045-B2 ABCA1 elevating compounds CV THERAPEUTICS, INC. (US) 2008-09-09 US disclosed
WO-2008079139-A1 ABCA1 ELEVATING COMPOUNDS CV THERAPEUTICS, INC. (US) 2008-07-03 WO disclosed
EP-1907395-A1 ABCA1 ELEVATING COMPOUNDS CV THERAPEUTICS, INC. (US) 2008-04-09 EP disclosed
US-20070010544-A1 ABCA1 elevating compounds CV THERAPEUTICS, INC. 2007-01-11 US disclosed
WO-2007002867-A1 ABCA1 ELEVATING COMPOUNDS CV THERAPEUTICS, INC. (US) 2007-01-04 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 (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-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABCD3, ABCB4, CETP ROCK2 2907/4885AKT1 1281/4885ROCK1 2970/4885
US-20070010544-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP ROCK2 2907/4885AKT1 1281/4885ROCK1 2970/4885

“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.