SCHEMBL5962884

SCHEMBL5962884

COc1cccc(C(=O)N2CCCC2CO)c1N

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.52
TRPV1 Q8NER1 2/20 0.48
ROCK2 O75116 1/20 0.48
HCRTR1 O43613 3/20 0.46
HCRTR2 O43614 3/20 0.46
DRD2 P14416 1/20 0.45
SPHK2 Q9NRA0 1/20 0.44
RAB9A P51151 1/20 0.44
POLB P06746 1/20 0.43
TLR8 Q9NR97 1/20 0.43
TLR7 Q9NYK1 1/20 0.43
TP53 P04637 1/20 0.43
HSD11B1 P28845 1/20 0.43
ABL1 P00519 1/20 0.43
RIN1 Q13671 1/20 0.43
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43

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
SCHEMBL6861666 0.88 LMNA (0.61) LMNATRPV1ROCK2HCRTR1HCRTR2
SCHEMBL6866556 0.88 LMNA (0.61) LMNATRPV1ROCK2HCRTR1HCRTR2
SCHEMBL6861673 0.88 LMNA (0.61) LMNATRPV1ROCK2HCRTR1HCRTR2
SCHEMBL30833339 0.85 POLB (0.46) LMNATRPV1HCRTR1HCRTR2SPHK2
SCHEMBL5962928 0.83 LMNA (0.49) LMNATRPV1ROCK2HCRTR1HCRTR2
SCHEMBL5962927 0.80 POLB (0.48) LMNATRPV1ROCK2HCRTR1HCRTR2
SCHEMBL10618765 0.80 PREP (0.43) ROCK2POLBHSD11B1HSP90AA1HSP90AB1
SCHEMBL5962832 0.78 ROCK2 (0.46) LMNATRPV1ROCK2HCRTR1HCRTR2
SCHEMBL16486649 0.78 ROCK2 (0.48) LMNATRPV1ROCK2HCRTR1HCRTR2
SCHEMBL16486652 0.78 ROCK2 (0.48) LMNATRPV1ROCK2HCRTR1HCRTR2

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 LMNA 1772/4885TRPV1 3319/4885ROCK2 2527/4885

“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.