SCHEMBL5784641

SCHEMBL5784641

O=C(c1ccc2n1Cc1ccccc1N(C(=O)c1ccc(-c3cccc4ccccc34)cc1Cl)C2)N1CCC(N2CCCC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 17/20 0.56
L3MBTL3 Q96JM7 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MBTD1 Q05BQ5 1/20 0.41
TP53BP1 Q12888 1/20 0.41
AVPR1A P37288 4/20 0.41
CYP2C9 P11712 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
SCHEMBL5782479 0.99 AVPR2 (0.56) AVPR2L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL5782835 0.88 AVPR2 (0.67) AVPR2AVPR1A
SCHEMBL5783636 0.86 AVPR2 (0.64) AVPR2AVPR1A
SCHEMBL5786827 0.85 AVPR2 (0.64) AVPR2AVPR1A
SCHEMBL5784511 0.85 AVPR2 (0.58) AVPR2AVPR1A
SCHEMBL7001234 0.84 AVPR2 (0.55) AVPR2L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL6476000 0.84 AVPR2 (0.59) AVPR2AVPR1A
SCHEMBL5816735 0.84 AVPR2 (0.65) AVPR2AVPR1A
SCHEMBL5783502 0.83 AVPR2 (0.56) AVPR2AVPR1A
SCHEMBL5784636 0.83 AVPR2 (0.54) AVPR2AVPR1A

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 7 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
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 91/4885L3MBTL3 3951/4885L3MBTL1 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.