SCHEMBL5784367

SCHEMBL5784367

COc1cccc(-c2cc(OC)c(C(=O)N3Cc4ccc(C(=O)NCCCN(C)C)n4Cc4ccccc43)cc2Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 13/20 0.44
AVPR1A P37288 2/20 0.39
MCHR1 Q99705 3/20 0.38
NAMPT P43490 2/20 0.38
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 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
SCHEMBL5785079 0.89 AVPR2 (0.42) AVPR2AVPR1A
SCHEMBL5786150 0.88 AVPR2 (0.44) AVPR2AVPR1AMCHR1
SCHEMBL5785589 0.88 AVPR2 (0.45) AVPR2AVPR1A
SCHEMBL5784040 0.87 AVPR2 (0.45) AVPR2AVPR1ADRD2DRD4DRD3
SCHEMBL5784508 0.87 AVPR2 (0.53) AVPR2AVPR1AMCHR1NAMPTDRD2
SCHEMBL5787609 0.86 LMNA (0.48) AVPR2NAMPT
SCHEMBL5782658 0.86 AVPR2 (0.47) AVPR2AVPR1ADRD2DRD4DRD3
SCHEMBL5890715 0.86 AVPR2 (0.42) AVPR2AVPR1A
SCHEMBL5784664 0.86 AVPR2 (0.43) AVPR2AVPR1A
SCHEMBL5890993 0.85 AVPR2 (0.43) AVPR2AVPR1ANAMPT

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 62/4885MCHR1 295/4885

“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.