SCHEMBL5891112

SCHEMBL5891112

COc1cc(C(=O)N2Cc3ccc(C(=O)NCCc4ccccn4)n3Cc3ccccc32)ccc1-c1ccccc1C

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 5/20 0.46
ALDH1A1 P00352 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
HTT P42858 1/20 0.42
NAMPT P43490 1/20 0.39
AVPR1A P37288 3/20 0.39
ROCK2 O75116 2/20 0.38
ROCK1 Q13464 1/20 0.38
NPC1 O15118 2/20 0.37
THRB P10828 1/20 0.37
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL5890748 0.95 AVPR2 (0.49) AVPR2ALDH1A1L3MBTL1HTTNAMPT
SCHEMBL5891642 0.94 AVPR2 (0.46) AVPR2ALDH1A1L3MBTL1HTTNAMPT
SCHEMBL5890750 0.93 AVPR2 (0.47) AVPR2ALDH1A1NAMPTAVPR1AROCK2
SCHEMBL5891130 0.93 NAMPT (0.42) AVPR2ALDH1A1L3MBTL1HTTNAMPT
SCHEMBL5891401 0.92 AVPR2 (0.45) AVPR2ALDH1A1L3MBTL1HTTNAMPT
SCHEMBL5891699 0.88 AVPR2 (0.48) AVPR2ALDH1A1L3MBTL1HTTNAMPT
SCHEMBL3536120 0.88 AVPR2 (0.46) AVPR2AVPR1AROCK2ROCK1NPC1
SCHEMBL5891188 0.88 AVPR2 (0.51) AVPR2ALDH1A1NAMPTAVPR1AROCK2
SCHEMBL5890455 0.88 AVPR2 (0.51) AVPR2ALDH1A1L3MBTL1NAMPTAVPR1A
SCHEMBL5891044 0.87 AVPR2 (0.47) AVPR2ALDH1A1NAMPTAVPR1AROCK2

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
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
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 70/4885ALDH1A1 3035/4885L3MBTL1 3950/4885

“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.