SCHEMBL5891149

SCHEMBL5891149

COc1cc(C(=O)N2Cc3ccc(C(=O)NCc4ccncc4)n3Cc3ccccc32)ccc1-c1ccccc1C

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 4/20 0.46
LMNA P02545 3/20 0.43
POLB P06746 2/20 0.43
TP53 P04637 2/20 0.43
MAPK14 Q16539 1/20 0.40
AVPR1A P37288 2/20 0.40
THRB P10828 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ROCK2 O75116 2/20 0.39
NAMPT P43490 2/20 0.39
ROCK1 Q13464 1/20 0.37
MAPT P10636 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
SCHEMBL5891358 0.95 AVPR2 (0.49) AVPR2LMNAPOLBTP53AVPR1A
SCHEMBL5890848 0.94 AVPR2 (0.46) AVPR2LMNAPOLBTP53MAPK14
SCHEMBL3537560 0.94 AVPR2 (0.50) AVPR2LMNATP53AVPR1ATHRB
SCHEMBL3533374 0.93 AVPR2 (0.47) AVPR2LMNATP53AVPR1ATHRB
SCHEMBL5890736 0.92 AVPR2 (0.43) AVPR2LMNAMAPK14AVPR1ANAMPT
SCHEMBL3558987 0.92 ALDH1A1 (0.46) AVPR2LMNAPOLBROCK2NAMPT
SCHEMBL5890574 0.92 AVPR2 (0.46) AVPR2LMNAPOLBTP53AVPR1A
SCHEMBL3534697 0.92 AVPR2 (0.47) AVPR2LMNATP53AVPR1ATHRB
SCHEMBL3536010 0.92 AVPR2 (0.47) AVPR2LMNATP53AVPR1ATHRB
SCHEMBL3535538 0.91 MAPT (0.47) AVPR2LMNAPOLBTP53AVPR1A

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
WO-2002083683-A9 NOVEL TRICYCLIC PYRIDYL BENZAZEPINE CARBOXAMIDES AND DERIVATIVES THEREOF TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS WYETH CORP (US) 2004-02-26 WO 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
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 70/4885LMNA 3726/4885POLB 1816/4885

“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.