SCHEMBL5785403

SCHEMBL5785403

COc1cc(C(=O)N2Cc3ccc(C(=O)N4CCC(N5CCCC5)CC4)n3Cc3ccccc32)ccc1-c1ccccc1C

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 6/20 0.47
HSD11B1 P28845 1/20 0.45
MAPK7 Q13164 2/20 0.44
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
HTT P42858 1/20 0.41
ROCK2 O75116 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
AVPR1A P37288 3/20 0.41
L3MBTL3 Q96JM7 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MBTD1 Q05BQ5 1/20 0.41
BRD4 O60885 2/20 0.40
BRDT Q58F21 2/20 0.40
LRRK2 Q5S007 2/20 0.40
PLA2G7 Q13093 1/20 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
SCHEMBL5784481 0.99 AVPR2 (0.46) AVPR2HSD11B1MAPK7KDM4EALDH1A1
SCHEMBL5787108 0.95 AVPR2 (0.50) AVPR2HSD11B1MAPK7KDM4EALDH1A1
SCHEMBL5784041 0.94 AVPR2 (0.47) AVPR2HSD11B1MAPK7KDM4EALDH1A1
SCHEMBL5783314 0.94 AVPR2 (0.49) AVPR2HSD11B1MAPK7KDM4EALDH1A1
SCHEMBL5785737 0.93 AVPR2 (0.46) AVPR2HSD11B1MAPK7KDM4EALDH1A1
SCHEMBL5785997 0.92 AVPR2 (0.46) AVPR2AVPR1AL3MBTL3L3MBTL1MBTD1
SCHEMBL5786246 0.92 AVPR2 (0.46) AVPR2KDM4EALDH1A1AVPR1AL3MBTL3
SCHEMBL5782605 0.91 AVPR2 (0.46) AVPR2HSD11B1MAPK7KDM4EALDH1A1
SCHEMBL5783555 0.91 AVPR2 (0.45) AVPR2HSD11B1MAPK7KDM4EALDH1A1
SCHEMBL5782104 0.88 AVPR2 (0.50) AVPR2HSD11B1KDM4EALDH1A1ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7109193-B2 Tricyclic diazepines tocolytic oxytocin receptor antagonists WYETH (US) 2006-09-19 US claimed
EP-1377586-B1 TRICYCLIC DIAZEPINES AS TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS WYETH CORP (US) 2006-03-22 EP claimed
EP-1377586-A1 TRICYCLIC DIAZEPINES AS TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS Wyeth (US) 2004-01-07 EP claimed
US-20030008863-A1 Novel tricyclic diazepines tocolytic oxytocin receptor antagonists WYETH 2003-01-09 US claimed
WO-2002083678-A1 TRICYCLIC DIAZEPINES AS TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS WYETH (US) 2002-10-24 WO claimed
US-7109193-B2 Tricyclic diazepines tocolytic oxytocin receptor antagonists WYETH (US) 2006-09-19 US disclosed
EP-1377586-A1 TRICYCLIC DIAZEPINES AS TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS Wyeth (US) 2004-01-07 EP disclosed
US-20030008863-A1 Novel tricyclic diazepines tocolytic oxytocin receptor antagonists WYETH 2003-01-09 US disclosed
WO-2002083678-A1 TRICYCLIC DIAZEPINES AS TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS WYETH (US) 2002-10-24 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-20030008863-A1 Novel tricyclic diazepines tocolytic oxytocin receptor antagonists OXTR, OPRL1, HCRTR2 AVPR2 91/4885HSD11B1 1869/4885MAPK7 4009/4885

“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.