SCHEMBL5783229

SCHEMBL5783229

COc1ccccc1-c1ccc(C(=O)N2Cc3ccc(C(=O)N4CCC(N5CCCCC5)CC4)n3Cc3ccccc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 7/20 0.49
AVPR1A P37288 3/20 0.47
L3MBTL1 Q9Y468 7/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL3 Q96JM7 7/20 0.42
MBTD1 Q05BQ5 4/20 0.42
HTT P42858 1/20 0.42
MAPK7 Q13164 1/20 0.41
TP53BP1 Q12888 1/20 0.41
L3MBTL4 Q8NA19 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
SCHEMBL5784893 0.99 AVPR2 (0.49) AVPR2AVPR1AL3MBTL1KDM4EALDH1A1
SCHEMBL5783314 0.92 AVPR2 (0.49) AVPR2AVPR1AL3MBTL1KDM4EALDH1A1
SCHEMBL5787108 0.91 AVPR2 (0.50) AVPR2AVPR1AL3MBTL1KDM4EALDH1A1
SCHEMBL5784232 0.90 AVPR2 (0.54) AVPR2AVPR1AL3MBTL1KDM4EALDH1A1
SCHEMBL5785737 0.90 AVPR2 (0.46) AVPR2AVPR1AL3MBTL1KDM4EALDH1A1
SCHEMBL5783445 0.90 AVPR2 (0.54) AVPR2AVPR1AL3MBTL1KDM4EALDH1A1
SCHEMBL5784041 0.89 AVPR2 (0.47) AVPR2AVPR1AL3MBTL1KDM4EALDH1A1
SCHEMBL5784180 0.88 AVPR2 (0.54) AVPR2AVPR1AMEN1KMT2A
SCHEMBL5784481 0.87 AVPR2 (0.46) AVPR2AVPR1AL3MBTL1KDM4EALDH1A1
SCHEMBL5784900 0.86 AVPR2 (0.52) AVPR2AVPR1AMEN1KMT2A

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-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-B1 TRICYCLIC DIAZEPINES AS TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS WYETH CORP (US) 2006-03-22 EP disclosed
US-20030008863-A1 Novel tricyclic diazepines tocolytic oxytocin receptor antagonists WYETH 2003-01-09 US 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 91/4885AVPR1A 62/4885L3MBTL1 4014/4885

“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.