SCHEMBL5890455

SCHEMBL5890455

Cc1ccccc1-c1ccc(C(=O)N2Cc3ccc(C(=O)NCCc4ccccn4)n3Cc3ccccc32)cc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 7/20 0.51
AVPR1A P37288 5/20 0.51
NAMPT P43490 2/20 0.43
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SLC6A7 Q99884 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL5891125 0.92 AVPR2 (0.53) AVPR2AVPR1ANAMPTNPC1SLC6A7
SCHEMBL5891130 0.92 NAMPT (0.42) AVPR2AVPR1ANAMPTALDH1A1NPC1
SCHEMBL5891185 0.90 AVPR2 (0.50) AVPR2AVPR1ANAMPTALDH1A1NPC1
SCHEMBL5891112 0.88 AVPR2 (0.46) AVPR2AVPR1ANAMPTALDH1A1NPC1
SCHEMBL5891396 0.85 AVPR2 (0.51) AVPR2AVPR1ASLC6A7
SCHEMBL5891642 0.85 AVPR2 (0.46) AVPR2AVPR1ANAMPTALDH1A1NPC1
SCHEMBL5891126 0.84 AVPR2 (0.42) AVPR2AVPR1ANAMPTALDH1A1NPC1
SCHEMBL5890748 0.83 AVPR2 (0.49) AVPR2AVPR1ANAMPTALDH1A1NPC1
SCHEMBL5891011 0.83 AVPR2 (0.54) AVPR2AVPR1ANAMPT
SCHEMBL5784370 0.83 AVPR2 (0.54) 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 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
WO-2002083683-A9 NOVEL TRICYCLIC PYRIDYL BENZAZEPINE CARBOXAMIDES AND DERIVATIVES THEREOF TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS WYETH CORP (US) 2004-02-26 WO 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
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 33/4885NAMPT 2416/4885

“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.