SCHEMBL5786246

SCHEMBL5786246

Cc1ccccc1-c1ccc(C(=O)N2Cc3ccc(C(=O)N4CCC(N5CCCCC5)CC4)n3Cc3ccccc32)cc1C

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 5/20 0.46
L3MBTL3 Q96JM7 8/20 0.43
L3MBTL1 Q9Y468 8/20 0.43
AVPR1A P37288 2/20 0.43
PLA2G7 Q13093 1/20 0.42
LRRK2 Q5S007 1/20 0.41
SMYD2 Q9NRG4 1/20 0.41
MBTD1 Q05BQ5 4/20 0.41
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL5785997 0.99 AVPR2 (0.46) AVPR2L3MBTL3L3MBTL1AVPR1APLA2G7
SCHEMBL5785737 0.92 AVPR2 (0.46) AVPR2L3MBTL3L3MBTL1AVPR1ALRRK2
SCHEMBL5784481 0.92 AVPR2 (0.46) AVPR2L3MBTL3L3MBTL1AVPR1ALRRK2
SCHEMBL5784966 0.92 AVPR2 (0.44) AVPR2L3MBTL3L3MBTL1AVPR1ALRRK2
SCHEMBL5784041 0.92 AVPR2 (0.47) AVPR2L3MBTL3L3MBTL1AVPR1ALRRK2
SCHEMBL5785403 0.92 AVPR2 (0.47) AVPR2L3MBTL3L3MBTL1AVPR1APLA2G7
SCHEMBL5784232 0.91 AVPR2 (0.54) AVPR2L3MBTL3L3MBTL1AVPR1AMBTD1
SCHEMBL5783747 0.91 AVPR2 (0.44) AVPR2L3MBTL3L3MBTL1AVPR1ALRRK2
SCHEMBL5783445 0.90 AVPR2 (0.54) AVPR2L3MBTL3L3MBTL1AVPR1AMBTD1
SCHEMBL5782521 0.87 AVPR2 (0.43) AVPR2L3MBTL3L3MBTL1AVPR1ALRRK2

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 91/4885L3MBTL3 3951/4885L3MBTL1 4014/4885

“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.