SCHEMBL5784841

SCHEMBL5784841

CN(C)CCCN1CCN(C(=O)c2ccc3n2Cc2ccccc2N(C(=O)c2ccc(-c4cccc5ccccc45)cc2Cl)C3)CC1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 16/20 0.55
SLC2A1 P11166 1/20 0.39
AVPR1A P37288 4/20 0.38
HTR2C P28335 1/20 0.37
P2RX7 Q99572 1/20 0.36

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
SCHEMBL5783502 0.96 AVPR2 (0.56) AVPR2AVPR1AHTR2CP2RX7
SCHEMBL6476000 0.90 AVPR2 (0.59) AVPR2AVPR1AHTR2CP2RX7
SCHEMBL5782835 0.89 AVPR2 (0.67) AVPR2AVPR1AP2RX7
SCHEMBL5784677 0.89 AVPR2 (0.56) AVPR2AVPR1AP2RX7
SCHEMBL5784596 0.89 AVPR1A (0.49) AVPR2SLC2A1AVPR1AHTR2C
SCHEMBL5784194 0.86 AVPR2 (0.49) AVPR2AVPR1A
SCHEMBL5783636 0.86 AVPR2 (0.64) AVPR2AVPR1AP2RX7
SCHEMBL5784636 0.86 AVPR2 (0.54) AVPR2AVPR1AP2RX7
SCHEMBL5784406 0.85 AVPR2 (0.52) AVPR2AVPR1A
SCHEMBL5784511 0.85 AVPR2 (0.58) 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 10 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
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 91/4885SLC2A1 3791/4885AVPR1A 62/4885

“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.