SCHEMBL6482916

SCHEMBL6482916

COc1cc(C(=O)N2Cc3ccc(C(=O)N4CCN(CCO)CC4)n3Cc3ccccc32)ccc1-c1cccc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 6/20 0.45
AVPR1A P37288 2/20 0.40
CASP3 P42574 1/20 0.40
CDK9 P50750 1/20 0.40
CASP7 P55210 1/20 0.40
ROCK2 O75116 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
TLR9 Q9NR96 1/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
PDE1A P54750 1/20 0.37
PDE1B Q01064 1/20 0.37
PDE1C Q14123 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL6485092 0.93 AVPR2 (0.49) AVPR2AVPR1ACASP3CDK9CASP7
SCHEMBL5786053 0.93 AVPR2 (0.42) AVPR2AVPR1ACASP3CDK9CASP7
SCHEMBL5788666 0.92 AVPR2 (0.49) AVPR2AVPR1AROCK2PDE4APDE4B
SCHEMBL5786615 0.92 AVPR2 (0.46) AVPR2AVPR1AROCK2PDE4APDE4B
SCHEMBL6485008 0.91 AVPR2 (0.46) AVPR2AVPR1ACASP3CDK9CASP7
SCHEMBL5786184 0.91 AVPR2 (0.45) AVPR2AVPR1AROCK2PDE4APDE4B
SCHEMBL5785809 0.90 AVPR2 (0.42) AVPR2AVPR1AROCK2PDE4APDE4B
SCHEMBL5784991 0.90 AVPR2 (0.47) AVPR2AVPR1AROCK2PDE4APDE4B
SCHEMBL6475303 0.88 AVPR2 (0.46) AVPR2AVPR1APDE4APDE4BPDE4C
SCHEMBL5787810 0.88 AVPR2 (0.43) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6900200-B2 Tricyclic hydroxy carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists WYETH (US) 2005-05-31 US claimed
EP-1377583-A1 NOVEL TRICYCLIC HYDROXY CARBOXAMIDES AND DERIVATIVES THEREOF; TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS Wyeth (US) 2004-01-07 EP claimed
US-20030018026-A1 Novel tricyclic hydroxy carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists WYETH (US) 2003-01-23 US claimed
WO-2002083680-A1 NOVEL TRICYCLIC HYDROXY CARBOXAMIDES AND DERIVATIVES THEREOF TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS WYETH (US) 2002-10-24 WO claimed
US-6900200-B2 Tricyclic hydroxy carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists WYETH (US) 2005-05-31 US disclosed
EP-1377583-A1 NOVEL TRICYCLIC HYDROXY CARBOXAMIDES AND DERIVATIVES THEREOF; TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS Wyeth (US) 2004-01-07 EP disclosed
US-20030018026-A1 Novel tricyclic hydroxy carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists WYETH (US) 2003-01-23 US disclosed
WO-2002083680-A1 NOVEL TRICYCLIC HYDROXY CARBOXAMIDES AND DERIVATIVES THEREOF 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-20030018026-A1 Novel tricyclic hydroxy carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists OXTR, OPRL1, HCRTR2 AVPR2 45/4885AVPR1A 30/4885CASP3 1105/4885

“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.