SCHEMBL5787674

SCHEMBL5787674

COc1cc(-c2ccccc2C)c(Cl)cc1C(=O)N1Cc2ccc(C(=O)N3CCN(CCN(C)C)CC3)n2Cc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 16/20 0.48
AVPR1A P37288 4/20 0.39
ADORA2B P29275 1/20 0.34
HTR4 Q13639 1/20 0.34
HTR7 P34969 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL5784303 0.96 AVPR2 (0.47) AVPR2AVPR1AHTR7
SCHEMBL6476637 0.92 AVPR2 (0.52) AVPR2AVPR1AADORA2BHTR4HTR7
SCHEMBL5782466 0.91 AVPR2 (0.49) AVPR2AVPR1ATSHRMAPK1
SCHEMBL5786491 0.91 AVPR2 (0.57) AVPR2AVPR1ATSHRMAPK1
SCHEMBL5785143 0.89 AVPR2 (0.48) AVPR2AVPR1AHTR7
SCHEMBL5785084 0.88 AVPR2 (0.47) AVPR2AVPR1AHTR4TSHRMAPK1
SCHEMBL5784628 0.88 AVPR2 (0.55) AVPR2AVPR1ATSHRMAPK1
SCHEMBL5789209 0.86 AVPR2 (0.47) AVPR2AVPR1A
SCHEMBL5785735 0.86 AVPR2 (0.49) AVPR2AVPR1ATSHRMAPK1
SCHEMBL5784296 0.86 AVPR2 (0.45) 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 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
US-20030008863-A1 Novel tricyclic diazepines tocolytic oxytocin receptor antagonists WYETH 2003-01-09 US 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
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 91/4885AVPR1A 62/4885ADORA2B 611/4885

“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.