SCHEMBL5890756

SCHEMBL5890756

COc1cc(C(=O)N2Cc3ccc(C(=O)N(C)CCc4ccncc4)n3Cc3ccccc32)ccc1-c1ccccc1C

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 8/20 0.45
ROCK2 O75116 3/20 0.40
ROCK1 Q13464 1/20 0.40
AVPR1A P37288 7/20 0.39
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
GPBAR1 Q8TDU6 1/20 0.34
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
GAA P10253 1/20 0.33
ATM Q13315 1/20 0.33

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 0.95 AVPR2 (0.48) AVPR2ROCK2ROCK1AVPR1APDE4A
SCHEMBL5890931 0.94 AVPR2 (0.45) AVPR2ROCK2ROCK1AVPR1APDE4A
SCHEMBL5891147 0.93 AVPR1A (0.42) AVPR2ROCK2AVPR1A
SCHEMBL5891337 0.92 AVPR2 (0.44) AVPR2ROCK2ROCK1AVPR1APDE4A
SCHEMBL6632264 0.91 AVPR2 (0.52) AVPR2ROCK2ROCK1AVPR1APDE4A
SCHEMBL5891650 0.90 AVPR2 (0.46) AVPR2ROCK2ROCK1AVPR1APDE4A
SCHEMBL5782632 0.89 AVPR2 (0.50) AVPR2ROCK2AVPR1APDE4APDE4B
SCHEMBL5890845 0.88 AVPR2 (0.46) AVPR2ROCK2ROCK1AVPR1APDE4A
SCHEMBL5890765 0.88 AVPR2 (0.42) AVPR2ROCK2ROCK1AVPR1APDE4A
SCHEMBL5785906 0.88 AVPR2 (0.49) AVPR2ROCK2AVPR1APDE4APDE4B

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 7 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
EP-1377581-A1 NOVEL TRICYCLIC PYRIDYL BENZAZEPINE CARBOXAMIDES AND DERIVATIVES THEREOF AS TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS Wyeth (US) 2004-01-07 EP disclosed
US-20030055047-A1 Novel tricyclic pyridyl carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists WYETH 2003-03-20 US 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 70/4885ROCK2 4797/4885ROCK1 4857/4885

“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.