SCHEMBL6475303

SCHEMBL6475303

COc1ccccc1-c1ccc(C(=O)N2Cc3ccc(C(=O)N4CCN(CCO)CC4)n3Cc3ccccc32)cc1C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 7/20 0.46
AVPR1A P37288 2/20 0.40
DRD2 P14416 4/20 0.39
DRD3 P35462 3/20 0.39
HTR2A P28223 2/20 0.39
HTR1A P08908 1/20 0.39
DRD4 P21917 1/20 0.39
HTR2C P28335 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
KMT2A Q03164 1/20 0.37
NAMPT P43490 1/20 0.37
BTK Q06187 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
SCHEMBL6485092 0.95 AVPR2 (0.49) AVPR2AVPR1ADRD2DRD3HTR2A
SCHEMBL6485008 0.94 AVPR2 (0.46) AVPR2AVPR1ADRD2DRD3HTR2A
SCHEMBL5783970 0.93 AVPR2 (0.43) AVPR2AVPR1ADRD2DRD3HTR2A
SCHEMBL5783050 0.92 AVPR2 (0.50) AVPR2AVPR1APDE4APDE4BPDE4C
SCHEMBL6476635 0.92 AVPR2 (0.48) AVPR2AVPR1AALDH1A1NAMPTBTK
SCHEMBL5784619 0.92 AVPR2 (0.47) AVPR2AVPR1ADRD2DRD3HTR2A
SCHEMBL5781864 0.91 AVPR2 (0.46) AVPR2AVPR1ADRD2DRD3HTR2A
SCHEMBL6481762 0.90 AVPR2 (0.48) AVPR2AVPR1ADRD2DRD3HTR2A
SCHEMBL5782760 0.90 AVPR2 (0.43) AVPR2AVPR1ADRD2DRD3HTR2A
SCHEMBL5786497 0.89 AVPR2 (0.48) AVPR2AVPR1APDE4APDE4BPDE4C

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-6900200-B2 Tricyclic hydroxy carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists WYETH (US) 2005-05-31 US claimed
EP-1377583-A1 NOVEL TRICYCLIC HYDROXY CARBOXAMIDES AND DERIVATIVES THEREOF; TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS Wyeth (US) 2004-01-07 EP claimed
US-20030018026-A1 Novel tricyclic hydroxy carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists WYETH (US) 2003-01-23 US claimed
WO-2002083680-A1 NOVEL TRICYCLIC HYDROXY CARBOXAMIDES AND DERIVATIVES THEREOF TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS WYETH (US) 2002-10-24 WO claimed
US-6900200-B2 Tricyclic hydroxy carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists WYETH (US) 2005-05-31 US disclosed
US-20030018026-A1 Novel tricyclic hydroxy carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists WYETH (US) 2003-01-23 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-20030018026-A1 Novel tricyclic hydroxy carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists OXTR, OPRL1, HCRTR2 AVPR2 45/4885AVPR1A 30/4885DRD2 103/4885

“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.