SCHEMBL5787152

SCHEMBL5787152

COc1cc(-c2ccccc2C(F)(F)F)c(Cl)cc1C(=O)N1Cc2ccc(C(=O)N(C)CCN(C)C)n2Cc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 17/20 0.43
AVPR1A P37288 5/20 0.36
P2RX7 Q99572 1/20 0.33

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
SCHEMBL5784296 0.90 AVPR2 (0.45) AVPR2AVPR1A
SCHEMBL5782602 0.87 AVPR2 (0.51) AVPR2AVPR1AP2RX7
SCHEMBL6484183 0.87 AVPR2 (0.39) AVPR2AVPR1AP2RX7
SCHEMBL5891272 0.87 AVPR2 (0.37) AVPR2
SCHEMBL5784767 0.86 AVPR2 (0.42) AVPR2AVPR1AP2RX7
SCHEMBL5785196 0.86 AVPR2 (0.48) AVPR2AVPR1A
SCHEMBL5785945 0.86 AVPR2 (0.42) AVPR2AVPR1A
SCHEMBL5785589 0.85 AVPR2 (0.45) AVPR2AVPR1A
SCHEMBL5787177 0.82 AVPR2 (0.47) AVPR2AVPR1A
SCHEMBL5785079 0.81 AVPR2 (0.42) AVPR2AVPR1AP2RX7

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 62/4885P2RX7 253/4885

“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.