SCHEMBL5962971

SCHEMBL5962971

COc1cc(C(=O)N2CCC[C@H]2CO)c(NC(=O)OCC(Cl)(Cl)Cl)cc1OCCCNC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.38
HCRTR2 O43614 2/20 0.38
CHRM3 P20309 16/20 0.37
KMT2A Q03164 1/20 0.36

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
SCHEMBL13594816 0.87 CHRM3 (0.47) HCRTR1HCRTR2CHRM3
SCHEMBL4408331 0.87 CHRM3 (0.47) HCRTR1HCRTR2CHRM3
SCHEMBL5962804 0.86 HCRTR1 (0.42) HCRTR1HCRTR2KMT2A
SCHEMBL4408525 0.82 ROCK2 (0.42) HCRTR1HCRTR2CHRM3KMT2A
SCHEMBL13594815 0.82 ROCK2 (0.42) HCRTR1HCRTR2CHRM3KMT2A
SCHEMBL5962846 0.81 EPHX2 (0.44) CHRM3
SCHEMBL21352644 0.79 HCRTR1 (0.41) HCRTR1HCRTR2CHRM3
SCHEMBL21352645 0.79 HCRTR1 (0.41) HCRTR1HCRTR2CHRM3
SCHEMBL14071820 0.78 HCRTR1 (0.44) HCRTR1HCRTR2CHRM3
SCHEMBL20830995 0.77 SMN1; SMN2 (0.36) HCRTR1HCRTR2KMT2A

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 6 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

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 HCRTR1 76/4885HCRTR2 23/4885CHRM3 99/4885

“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.