SCHEMBL4409498

SCHEMBL4409498

COc1cc(N)c(C(=O)N2CCCC2CO[Si](C)(C)C(C)(C)C)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 7/20 0.42
HCRTR2 O43614 7/20 0.42
LRRK2 Q5S007 2/20 0.41
LMNA P02545 1/20 0.39
ADRA2A P08913 1/20 0.39
DRD2 P14416 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
HTR2A P28223 1/20 0.39
MAPK1 P28482 1/20 0.39
HTR7 P34969 1/20 0.39
HRH1 P35367 1/20 0.39
DRD3 P35462 1/20 0.39
HTR2B P41595 1/20 0.39
KCNH2 Q12809 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
FKBP1A P62942 1/20 0.39
ADORA2A P29274 4/20 0.39

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
SCHEMBL14071787 1.00 HCRTR1 (0.42) HCRTR1HCRTR2LRRK2LMNAADRA2A
SCHEMBL20066433 0.94 HCRTR1 (0.41) HCRTR1HCRTR2LRRK2LMNAADRA2A
SCHEMBL4406414 0.93 HCRTR1 (0.40) HCRTR1HCRTR2LRRK2LMNAADRA2A
SCHEMBL29687401 0.93 HCRTR1 (0.40) HCRTR1HCRTR2LRRK2LMNAADRA2A
SCHEMBL14071841 0.93 HCRTR1 (0.40) HCRTR1HCRTR2LRRK2LMNAADRA2A
SCHEMBL14477479 0.93 LRRK2 (0.40) HCRTR1HCRTR2LRRK2FKBP1AADORA2A
SCHEMBL31235869 0.93 LRRK2 (0.40) HCRTR1HCRTR2LRRK2LMNAADRA2A
SCHEMBL20541621 0.92 HCRTR1 (0.38) HCRTR1HCRTR2LRRK2LMNAADRA2A
SCHEMBL21840235 0.92 HCRTR1 (0.38) HCRTR1HCRTR2LRRK2LMNAADRA2A
SCHEMBL29687438 0.92 HCRTR1 (0.38) HCRTR1HCRTR2LRRK2LMNAADRA2A

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.