SCHEMBL5962832

SCHEMBL5962832

COc1cc(C(=O)N2CCCC2CO)c(N)c(OC)c1C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.46
TRPV1 Q8NER1 2/20 0.44
HCRTR1 O43613 8/20 0.43
HCRTR2 O43614 8/20 0.43
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
RAB9A P51151 2/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
KMT2A Q03164 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL5962927 0.91 POLB (0.48) ROCK2TRPV1HCRTR1HCRTR2TLR8
SCHEMBL5962934 0.83 TRPV1 (0.44) ROCK2TRPV1HCRTR1HCRTR2TLR8
SCHEMBL5962819 0.81 SPHK2 (0.54) ROCK2TRPV1HCRTR1HCRTR2RAB9A
SCHEMBL16486652 0.80 ROCK2 (0.48) ROCK2TRPV1HCRTR1HCRTR2TLR8
SCHEMBL16486649 0.80 ROCK2 (0.48) ROCK2TRPV1HCRTR1HCRTR2TLR8
SCHEMBL5962824 0.78 PKM (0.53) ROCK2TRPV1HCRTR1HCRTR2TLR8
SCHEMBL5962884 0.78 LMNA (0.52) ROCK2TRPV1HCRTR1HCRTR2TLR8
SCHEMBL5962757 0.77 ROCK2 (0.39) ROCK2TRPV1HCRTR1HCRTR2TLR8
SCHEMBL5962759 0.77 ROCK2 (0.39) ROCK2TRPV1HCRTR1HCRTR2TLR8
SCHEMBL5966242 0.76 ROCK2 (0.39) ROCK2TRPV1HCRTR1HCRTR2TLR8

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 ROCK2 2527/4885TRPV1 3319/4885HCRTR1 76/4885

“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.