SCHEMBL5891185

SCHEMBL5891185

COc1ccccc1-c1ccc(C(=O)N2Cc3ccc(C(=O)NCCc4ccccn4)n3Cc3ccccc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 6/20 0.50
AVPR1A P37288 4/20 0.44
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HTT P42858 1/20 0.43
NAMPT P43490 2/20 0.41
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
FFAR2 O15552 1/20 0.38
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
DRD3 P35462 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
SCHEMBL5891483 0.92 AVPR2 (0.51) AVPR2AVPR1AHTTNAMPTRAB9A
SCHEMBL5890748 0.92 AVPR2 (0.49) AVPR2AVPR1AALDH1A1L3MBTL1HTT
SCHEMBL5890455 0.90 AVPR2 (0.51) AVPR2AVPR1AALDH1A1L3MBTL1NAMPT
SCHEMBL5891642 0.90 AVPR2 (0.46) AVPR2AVPR1AALDH1A1L3MBTL1HTT
SCHEMBL5891112 0.87 AVPR2 (0.46) AVPR2AVPR1AALDH1A1L3MBTL1HTT
SCHEMBL5891699 0.87 AVPR2 (0.48) AVPR2AVPR1AALDH1A1L3MBTL1HTT
SCHEMBL5890901 0.86 AVPR2 (0.49) AVPR2AVPR1AALDH1A1FFAR2
SCHEMBL5891401 0.86 AVPR2 (0.45) AVPR2AVPR1AALDH1A1L3MBTL1HTT
SCHEMBL5891188 0.84 AVPR2 (0.51) AVPR2AVPR1AALDH1A1NAMPTRAB9A
SCHEMBL5890729 0.84 AVPR2 (0.50) AVPR2AVPR1ANAMPTHTR1A

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 70/4885AVPR1A 33/4885ALDH1A1 3035/4885

“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.