SCHEMBL5784508

SCHEMBL5784508

COc1cccc(-c2ccc(C(=O)N3Cc4ccc(C(=O)NCCCN(C)C)n4Cc4ccccc43)cc2OC)c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 8/20 0.53
AVPR1A P37288 4/20 0.44
MCHR1 Q99705 2/20 0.41
IGF1R P08069 1/20 0.40
ROCK2 O75116 1/20 0.39
NAMPT P43490 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
FYN P06241 1/20 0.38

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
SCHEMBL5784979 0.93 AVPR2 (0.46) AVPR2AVPR1ANAMPTSIGMAR1L3MBTL1
SCHEMBL5785784 0.90 AVPR2 (0.55) AVPR2AVPR1AMCHR1IGF1RROCK2
SCHEMBL5784277 0.89 AVPR2 (0.51) AVPR2AVPR1AROCK2
SCHEMBL5785697 0.88 AVPR2 (0.50) AVPR2AVPR1AMCHR1IGF1RNAMPT
SCHEMBL5783300 0.88 AVPR2 (0.51) AVPR2AVPR1AMCHR1IGF1RNAMPT
SCHEMBL5784716 0.87 AVPR2 (0.52) AVPR2AVPR1AROCK2
SCHEMBL5784367 0.87 AVPR2 (0.44) AVPR2AVPR1AMCHR1NAMPTDRD2
SCHEMBL5783750 0.87 AVPR2 (0.47) AVPR2IGF1RROCK2DRD2DRD4
SCHEMBL5784283 0.86 AVPR2 (0.55) AVPR2AVPR1AMCHR1NAMPTDRD2
SCHEMBL5783944 0.86 NAMPT (0.50) AVPR2NAMPT

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 91/4885AVPR1A 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.