SCHEMBL5785161

SCHEMBL5785161

Cc1ccccc1-c1ccc(C(=O)N2Cc3ccc(C(=O)N4CCN(C)CC4)n3Cc3ccccc32)cc1C

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 11/20 0.54
AVPR1A P37288 4/20 0.48
BTK Q06187 1/20 0.43
PLA2G7 Q13093 2/20 0.43
OXTR P30559 1/20 0.40
HPGD P15428 1/20 0.39
TSHR P16473 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
SCHEMBL5784375 0.96 AVPR2 (0.51) AVPR2AVPR1ABTKPLA2G7OXTR
SCHEMBL6476635 0.91 AVPR2 (0.48) AVPR2AVPR1ABTKPLA2G7OXTR
SCHEMBL5782104 0.91 AVPR2 (0.50) AVPR2AVPR1ABTK
SCHEMBL5783050 0.91 AVPR2 (0.50) AVPR2AVPR1ABTKOXTR
SCHEMBL5783678 0.91 AVPR2 (0.46) AVPR2AVPR1APLA2G7
SCHEMBL5784602 0.91 AVPR2 (0.49) AVPR2AVPR1ABTKOXTR
SCHEMBL5781896 0.90 AVPR2 (0.46) AVPR2AVPR1APLA2G7HPGDTSHR
SCHEMBL5785129 0.90 AVPR2 (0.61) AVPR2AVPR1A
SCHEMBL5784064 0.89 AVPR2 (0.45) AVPR2AVPR1APLA2G7OXTR
SCHEMBL5785831 0.89 AVPR2 (0.48) AVPR2AVPR1ABTKPLA2G7OXTR

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 91/4885AVPR1A 62/4885BTK 3969/4885

“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.