SCHEMBL5962819

SCHEMBL5962819

COc1cc(C(=O)N2CCCC2CO)c(N)c(OC)c1OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 3/20 0.54
HCRTR1 O43613 3/20 0.47
HCRTR2 O43614 3/20 0.47
MET P08581 1/20 0.44
TRPV1 Q8NER1 2/20 0.43
ROCK2 O75116 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SCN9A Q15858 1/20 0.41
KDM4E B2RXH2 1/20 0.41
SPHK1 Q9NYA1 2/20 0.41
TRPC6 Q9Y210 1/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41

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
SCHEMBL5962794 0.88 SPHK2 (0.51) SPHK2HCRTR1HCRTR2TRPV1ROCK2
SCHEMBL5962927 0.87 POLB (0.48) HCRTR1HCRTR2TRPV1ROCK2KDM4E
SCHEMBL13784963 0.85 SPHK2 (0.56) SPHK2HCRTR1HCRTR2METTRPV1
SCHEMBL13784968 0.85 SPHK2 (0.56) SPHK2HCRTR1HCRTR2METTRPV1
SCHEMBL1132485 0.85 SPHK2 (0.56) SPHK2HCRTR1HCRTR2METTRPV1
SCHEMBL30706534 0.82 SPHK2 (0.52) SPHK2HCRTR1HCRTR2METTRPV1
SCHEMBL20975312 0.82 SPHK2 (0.52) SPHK2HCRTR1HCRTR2METTRPV1
SCHEMBL19607268 0.82 SPHK2 (0.52) SPHK2HCRTR1HCRTR2METTRPV1
SCHEMBL5962832 0.81 ROCK2 (0.46) HCRTR1HCRTR2TRPV1ROCK2NPC1
SCHEMBL7826386 0.81 SPHK2 (0.43) SPHK2HCRTR1HCRTR2ROCK2SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7067511-B2 Pyrrolobenzodiazepines SPIROGEN LIMITED (GB) 2006-06-27 US disclosed
US-7049311-B1 Pyrrolbenzodiazepines SPIROGEN LIMITED (GB) 2006-05-23 US disclosed
EP-1109812-B1 PYRROLOBENZODIAZEPINES SPIROGEN LTD (GB) 2005-05-04 EP disclosed
EP-1413582-A1 Dimeric pyrrolobenzodiazepines Spirogen Limited (GB) 2004-04-28 EP disclosed
US-20030120069-A1 Pyrrolobenzodiazepines SPIROGEN LIMITED (GB) 2003-06-26 US disclosed
EP-1193270-A2 Pyrrolobenzodiazepines Spirogen Limited (GB) 2002-04-03 EP disclosed
EP-1109812-A2 PYRROLOBENZODIAZEPINES Spirogen Limited (GB) 2001-06-27 EP disclosed
WO-2000012508-A2 PYRROLBENZODIAZEPINES SPIROGEN LIMITED (GB) 2000-03-09 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 (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-20030120069-A1 Pyrrolobenzodiazepines CNR1, CBX2, CNR2 SPHK2 4542/4885HCRTR1 76/4885HCRTR2 23/4885

“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.