SCHEMBL5890737

SCHEMBL5890737

COc1cccc(-c2ccc(C(=O)N3Cc4ccc(C(=O)N(C)Cc5cccnc5)n4Cc4ccccc43)cc2C)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 2/20 0.42
AVPR2 P30518 2/20 0.42
CYP11B2 P19099 2/20 0.41
CYP11B1 P15538 1/20 0.41
PTAFR P25105 2/20 0.39
HSD17B2 P37059 3/20 0.39
CLK1 P49759 1/20 0.39
PDK1 Q15118 2/20 0.37
ABL1 P00519 1/20 0.37
BCR P11274 1/20 0.37
BRD4 O60885 1/20 0.37
HTR2C P28335 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
RECQL P46063 1/20 0.36
JAK2 O60674 1/20 0.35

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
SCHEMBL5891055 0.93 AVPR2 (0.47) AVPR1AAVPR2CYP11B2CYP11B1PTAFR
SCHEMBL5891244 0.89 AVPR2 (0.46) AVPR1AAVPR2CLK1PDK1HTR2C
SCHEMBL5891628 0.87 AVPR1A (0.41) AVPR1AAVPR2CYP11B2CYP11B1HSD17B2
SCHEMBL3550157 0.87 PTAFR (0.44) AVPR2CYP11B2CYP11B1PTAFR
SCHEMBL5787329 0.86 AVPR1A (0.46) AVPR1AAVPR2BRD4
SCHEMBL5891612 0.86 AVPR2 (0.46) AVPR1AAVPR2CLK1PDK1HTR2C
SCHEMBL5891239 0.85 PDK1 (0.39) AVPR1AAVPR2CYP11B2CYP11B1CLK1
SCHEMBL5891168 0.85 AVPR2 (0.49) AVPR1AAVPR2HSD17B2CLK1PDK1
SCHEMBL5785632 0.85 AVPR1A (0.45) AVPR1AAVPR2BRD4
SCHEMBL5890921 0.84 AVPR2 (0.51) AVPR1AAVPR2PDK1HTR2C

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 AVPR1A 33/4885AVPR2 70/4885CYP11B2 1592/4885

“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.