SCHEMBL5784459

SCHEMBL5784459

COc1cc(C(=O)N2Cc3ccc(C(=O)n4ccnc4)n3Cc3ccccc32)ccc1-c1cccc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 11/20 0.43
AVPR1A P37288 8/20 0.41
ROCK2 O75116 2/20 0.40
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
LMNA P02545 1/20 0.34

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
SCHEMBL5782989 0.93 AVPR2 (0.47) AVPR2AVPR1AROCK2PDE4APDE4B
SCHEMBL5785979 0.91 AVPR2 (0.43) AVPR2AVPR1AROCK2PDE4APDE4B
SCHEMBL5786971 0.88 AVPR2 (0.43) AVPR2AVPR1AROCK2PDE4APDE4B
SCHEMBL5788666 0.84 AVPR2 (0.49) AVPR2AVPR1AROCK2PDE4APDE4B
SCHEMBL5785130 0.84 NAMPT (0.45) AVPR2
SCHEMBL5891384 0.84 AVPR2 (0.41) AVPR2AVPR1AROCK2PDE4APDE4B
SCHEMBL5890574 0.83 AVPR2 (0.46) AVPR2AVPR1AROCK2LMNA
SCHEMBL5787810 0.82 AVPR2 (0.43) AVPR2AVPR1AROCK2PDE4APDE4B
SCHEMBL5784991 0.82 AVPR2 (0.47) AVPR2AVPR1AROCK2PDE4APDE4B
SCHEMBL5835280 0.82 AVPR2 (0.46) AVPR2AVPR1AROCK2PDE4APDE4B

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 6 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
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 62/4885ROCK2 4555/4885

“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.