SCHEMBL5890601

SCHEMBL5890601

CCOc1ccccc1-c1cc(OC)c(C(=O)N2Cc3ccc(C(=O)NCc4ccccn4)n3Cc3ccccc32)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 9/20 0.41
ADORA2A P29274 3/20 0.41
ADORA1 P30542 3/20 0.41
PDE5A O76074 1/20 0.38
PDE10A Q9Y233 2/20 0.38
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 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
SCHEMBL5890953 0.92 AVPR2 (0.43) AVPR2ADORA2AADORA1PDE5AKDM4E
SCHEMBL5890958 0.87 AVPR2 (0.43) AVPR2ADORA2AADORA1PDE5AKDM4E
SCHEMBL5782360 0.86 AVPR2 (0.51) AVPR2ALDH1A1
SCHEMBL5890781 0.85 ALDH1A1 (0.43) AVPR2ALDH1A1
SCHEMBL5891188 0.83 AVPR2 (0.51) AVPR2ADORA2AADORA1PDE10AKDM4E
SCHEMBL5891446 0.81 AVPR2 (0.43) AVPR2
SCHEMBL5891044 0.81 AVPR2 (0.47) AVPR2ADORA2AADORA1KDM4ENPC1
SCHEMBL5890715 0.81 AVPR2 (0.42) AVPR2ALDH1A1
SCHEMBL5891483 0.81 AVPR2 (0.51) AVPR2ADORA2AADORA1NPC1RAB9A
SCHEMBL5890750 0.80 AVPR2 (0.47) AVPR2ADORA2AADORA1PDE10AKDM4E

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 6 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
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 70/4885ADORA2A 144/4885ADORA1 606/4885

“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.