SCHEMBL5890729

SCHEMBL5890729

COc1ccccc1-c1ccc(C(=O)N2Cc3ccc(C(=O)NCc4ccncc4)n3Cc3ccccc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 7/20 0.50
TP53 P04637 1/20 0.47
AVPR1A P37288 4/20 0.46
POLB P06746 2/20 0.44
LMNA P02545 2/20 0.44
NAMPT P43490 1/20 0.39
MMP13 P45452 1/20 0.39
GSK3B P49841 1/20 0.39
HTR1A P08908 1/20 0.39
HTR7 P34969 1/20 0.39
KDM1A O60341 1/20 0.38
HDAC1 Q13547 1/20 0.38

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
SCHEMBL3553453 0.92 AVPR2 (0.48) AVPR2TP53AVPR1APOLBLMNA
SCHEMBL5891358 0.92 AVPR2 (0.49) AVPR2TP53AVPR1APOLBLMNA
SCHEMBL6651468 0.91 AVPR2 (0.54) AVPR2TP53AVPR1APOLBLMNA
SCHEMBL5891011 0.90 AVPR2 (0.54) AVPR2AVPR1ALMNANAMPTMMP13
SCHEMBL5890848 0.89 AVPR2 (0.46) AVPR2TP53AVPR1APOLBLMNA
SCHEMBL5891483 0.88 AVPR2 (0.51) AVPR2AVPR1APOLBLMNANAMPT
SCHEMBL3552894 0.88 AVPR2 (0.48) AVPR2TP53AVPR1APOLBLMNA
SCHEMBL5891149 0.86 AVPR2 (0.46) AVPR2TP53AVPR1APOLBLMNA
SCHEMBL5891678 0.86 AVPR2 (0.48) AVPR2TP53POLBLMNANAMPT
SCHEMBL3580102 0.86 AVPR2 (0.50) AVPR2AVPR1ANAMPT

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-7064120-B2 Tricyclic pyridyl carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists WYETH (US) 2006-06-20 US claimed
EP-1377581-A1 NOVEL TRICYCLIC PYRIDYL BENZAZEPINE CARBOXAMIDES AND DERIVATIVES THEREOF AS TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS Wyeth (US) 2004-01-07 EP claimed
US-20030055047-A1 Novel tricyclic pyridyl carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists WYETH 2003-03-20 US claimed
WO-2002083683-A1 NOVEL TRICYCLIC PYRIDYL BENZAZEPINE CARBOXAMIDES AND DERIVATIVES THEREOF TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS WYETH (US) 2002-10-24 WO claimed
US-7064120-B2 Tricyclic pyridyl carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists WYETH (US) 2006-06-20 US 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 70/4885TP53 4746/4885AVPR1A 33/4885

“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.