SCHEMBL5891153

SCHEMBL5891153

COc1cccc(-c2ccc(C(=O)N3Cc4ccc(C(=O)N(C)CCc5ccccn5)n4Cc4ccccc43)cc2OC)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 3/20 0.47
SYK P43405 1/20 0.42
GNRHR P30968 6/20 0.40
AVPR1A P37288 3/20 0.40
ROCK2 O75116 4/20 0.39
TLR8 Q9NR97 2/20 0.37
TLR7 Q9NYK1 2/20 0.37
TLR9 Q9NR96 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK3 Q15120 1/20 0.37
PDK4 Q16654 1/20 0.37
ROCK1 Q13464 1/20 0.36
GAA P10253 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
SCHEMBL5891339 0.93 AVPR2 (0.42) AVPR2SYKGNRHRAVPR1AMEN1
SCHEMBL5890760 0.90 AVPR2 (0.49) AVPR2AVPR1AROCK2TLR8TLR7
SCHEMBL5890845 0.90 AVPR2 (0.46) AVPR2AVPR1AROCK2ROCK1
SCHEMBL5784716 0.89 AVPR2 (0.52) AVPR2AVPR1AROCK2ROCK1
SCHEMBL5891027 0.89 AVPR2 (0.45) AVPR2AVPR1AROCK2TLR8TLR7
SCHEMBL5891650 0.89 AVPR2 (0.46) AVPR2AVPR1AROCK2TLR8TLR7
SCHEMBL5891391 0.88 GNRHR (0.39) AVPR2SYKGNRHRAVPR1A
SCHEMBL5784277 0.88 AVPR2 (0.51) AVPR2AVPR1AROCK2
SCHEMBL5891699 0.87 AVPR2 (0.48) AVPR2SYKAVPR1AROCK2ROCK1
SCHEMBL5890901 0.87 AVPR2 (0.49) AVPR2AVPR1ATLR8TLR7TLR9

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 70/4885SYK 3488/4885GNRHR 60/4885

“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.