SCHEMBL4406340

SCHEMBL4406340

COc1cc(C(=O)N2CCCC2CO[Si](C)(C)C(C)(C)C)c(N=C=O)cc1OCCCCCOc1cc(N=C=O)c(C(=O)N2CCC[C@H]2CO[Si](C)(C)C(C)(C)C)cc1OC

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 13/20 0.40
HCRTR2 O43614 13/20 0.40
LRRK2 Q5S007 2/20 0.37
FKBP1A P62942 1/20 0.37
ROCK2 O75116 1/20 0.33
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 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
SCHEMBL14071838 1.00 HCRTR1 (0.40) HCRTR1HCRTR2LRRK2FKBP1AROCK2
SCHEMBL14071842 1.00 HCRTR1 (0.40) HCRTR1HCRTR2LRRK2FKBP1AROCK2
SCHEMBL4411420 0.94 HCRTR1 (0.41) HCRTR1HCRTR2LRRK2FKBP1AROCK2
SCHEMBL14071788 0.94 HCRTR1 (0.41) HCRTR1HCRTR2LRRK2FKBP1AROCK2
SCHEMBL14477477 0.88 HCRTR1 (0.39) HCRTR1HCRTR2LRRK2FKBP1A
SCHEMBL4406414 0.85 HCRTR1 (0.40) HCRTR1HCRTR2LRRK2FKBP1A
SCHEMBL14071841 0.85 HCRTR1 (0.40) HCRTR1HCRTR2LRRK2FKBP1A
SCHEMBL29687401 0.85 HCRTR1 (0.40) HCRTR1HCRTR2LRRK2FKBP1A
SCHEMBL20066433 0.83 HCRTR1 (0.41) HCRTR1HCRTR2LRRK2FKBP1A
SCHEMBL4412261 0.82 KDM4E (0.40) HCRTR1HCRTR2LRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1664049-B1 SYNTHESIS OF PROTECTED PYRROLOBENZODIAZEPINES SPIROGEN LTD (GB) 2009-12-23 EP disclosed
US-7429658-B2 Synthesis of protected pyrrolobenzodiazepines SPIROGEN LIMITED (GB) 2008-09-30 US disclosed
US-20060264622-A1 Synthesis of protected pyrrolobenzodiazepines SPIROGEN LIMITED (GB) 2006-11-23 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 (1 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-20060264622-A1 Synthesis of protected pyrrolobenzodiazepines SBDS, DRD2, GRIN2D HCRTR1 1486/4885HCRTR2 860/4885LRRK2 2829/4885

“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.