SCHEMBL5785129

SCHEMBL5785129

Cc1ccccc1-c1ccc(C(=O)N2Cc3ccc(C(=O)N4CCN(C)CC4)n3Cc3ccccc32)cc1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 13/20 0.61
AVPR1A P37288 10/20 0.61
SLC6A7 Q99884 1/20 0.45
POLB P06746 1/20 0.44
CYP2C9 P11712 1/20 0.42

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
SCHEMBL5784789 0.96 AVPR2 (0.57) AVPR2AVPR1ASLC6A7POLBCYP2C9
SCHEMBL6482710 0.92 AVPR2 (0.56) AVPR2AVPR1ASLC6A7POLB
SCHEMBL5785161 0.90 AVPR2 (0.54) AVPR2AVPR1A
SCHEMBL5784714 0.90 AVPR2 (0.54) AVPR2AVPR1ASLC6A7
SCHEMBL5784415 0.89 AVPR2 (0.53) AVPR2AVPR1ASLC6A7
SCHEMBL5784180 0.88 AVPR2 (0.54) AVPR2AVPR1APOLBCYP2C9
SCHEMBL5890440 0.88 AVPR2 (0.54) AVPR2AVPR1ASLC6A7POLB
SCHEMBL5783477 0.88 AVPR2 (0.54) AVPR2AVPR1ASLC6A7
SCHEMBL5784517 0.88 AVPR2 (0.51) AVPR2AVPR1ASLC6A7
SCHEMBL5890707 0.87 AVPR2 (0.53) AVPR2AVPR1ASLC6A7

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 62/4885SLC6A7 1646/4885

“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.