SCHEMBL5891055

SCHEMBL5891055

COc1cccc(-c2ccc(C(=O)N3Cc4ccc(C(=O)N(C)Cc5cccnc5)n4Cc4ccccc43)cc2OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 2/20 0.47
AVPR1A P37288 2/20 0.42
CYP11B2 P19099 3/20 0.41
CYP11B1 P15538 2/20 0.41
ROCK2 O75116 2/20 0.40
ROCK1 Q13464 1/20 0.40
PDK1 Q15118 2/20 0.40
PTAFR P25105 1/20 0.39
HSD17B2 P37059 1/20 0.39
CLK1 P49759 1/20 0.39
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
ABL1 P00519 1/20 0.37
BCR P11274 1/20 0.37
BRD4 O60885 1/20 0.37
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TLR9 Q9NR96 1/20 0.36
TLR8 Q9NR97 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
SCHEMBL5890737 0.93 AVPR1A (0.42) AVPR2AVPR1ACYP11B2CYP11B1PDK1
SCHEMBL5891168 0.90 AVPR2 (0.49) AVPR2AVPR1AROCK2ROCK1PDK1
SCHEMBL5891697 0.89 AVPR2 (0.45) AVPR2AVPR1AROCK2ROCK1PDK1
SCHEMBL5891612 0.89 AVPR2 (0.46) AVPR2AVPR1AROCK2ROCK1PDK1
SCHEMBL5891239 0.88 PDK1 (0.39) AVPR2AVPR1ACYP11B2CYP11B1PDK1
SCHEMBL5891677 0.87 ROCK2 (0.48) AVPR2CYP11B2CYP11B1ROCK2ROCK1
SCHEMBL5890845 0.87 AVPR2 (0.46) AVPR2AVPR1ACYP11B2CYP11B1ROCK2
SCHEMBL5891434 0.87 AVPR2 (0.49) AVPR2AVPR1ACYP11B2ROCK2ROCK1
SCHEMBL5891002 0.86 AVPR2 (0.44) AVPR2AVPR1ACYP11B2CYP11B1ROCK2
SCHEMBL5784716 0.86 AVPR2 (0.52) AVPR2AVPR1AROCK2ROCK1BRD4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7064120-B2 Tricyclic pyridyl carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists WYETH (US) 2006-06-20 US claimed
US-20030055047-A1 Novel tricyclic pyridyl carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists WYETH 2003-03-20 US claimed
EP-1377581-A1 NOVEL TRICYCLIC PYRIDYL BENZAZEPINE CARBOXAMIDES AND DERIVATIVES THEREOF AS TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS Wyeth (US) 2004-01-07 EP disclosed
WO-2002083683-A1 NOVEL TRICYCLIC PYRIDYL BENZAZEPINE 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-20030055047-A1 Novel tricyclic pyridyl carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists OXTR, OPRL1, OPRK1 AVPR2 70/4885AVPR1A 33/4885CYP11B2 1592/4885

“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.