SCHEMBL5891111

SCHEMBL5891111

COc1ccccc1-c1ccc(C(=O)N2Cc3ccc(C(=O)N(C)CCc4ccncc4)n3Cc3ccccc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 13/20 0.48
AVPR1A P37288 7/20 0.48
ROCK2 O75116 2/20 0.38
ROCK1 Q13464 1/20 0.38
TP53 P04637 1/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35

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
SCHEMBL5890712 0.92 AVPR2 (0.48) AVPR2AVPR1AROCK2ROCK1TP53
SCHEMBL6632264 0.91 AVPR2 (0.52) AVPR2AVPR1AROCK2ROCK1CYP11B1
SCHEMBL5891012 0.90 AVPR2 (0.51) AVPR2AVPR1AROCK2
SCHEMBL5890931 0.90 AVPR2 (0.45) AVPR2AVPR1AROCK2ROCK1TP53
SCHEMBL5890901 0.89 AVPR2 (0.49) AVPR2AVPR1A
SCHEMBL5785287 0.88 AVPR1A (0.55) AVPR2AVPR1A
SCHEMBL5890756 0.87 AVPR2 (0.45) AVPR2AVPR1AROCK2ROCK1CYP11B1
SCHEMBL5783851 0.87 AVPR1A (0.54) AVPR2AVPR1A
SCHEMBL5890845 0.87 AVPR2 (0.46) AVPR2AVPR1AROCK2ROCK1TP53
SCHEMBL5891434 0.86 AVPR2 (0.49) AVPR2AVPR1AROCK2ROCK1CYP11B2

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 5 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
US-7064120-B2 Tricyclic pyridyl carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists WYETH (US) 2006-06-20 US disclosed
WO-2002083683-A9 NOVEL TRICYCLIC PYRIDYL BENZAZEPINE CARBOXAMIDES AND DERIVATIVES THEREOF TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS WYETH CORP (US) 2004-02-26 WO disclosed
US-20030055047-A1 Novel tricyclic pyridyl carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists WYETH 2003-03-20 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-20030055047-A1 Novel tricyclic pyridyl carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists OXTR, OPRL1, OPRK1 AVPR2 70/4885AVPR1A 33/4885ROCK2 4797/4885

“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.