SCHEMBL6475320

SCHEMBL6475320

COC[C@@H](O)CN1CCN(C(=O)c2ccc3n2Cc2ccccc2N(C(=O)c2ccc(-c4ccccc4C(F)(F)F)c(C)c2)C3)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 7/20 0.39
POLB P06746 1/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
ALDH1A1 P00352 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
KDM4E B2RXH2 2/20 0.35
SCN1A P35498 1/20 0.35
SCN5A Q14524 1/20 0.35
SCN9A Q15858 1/20 0.35
AVPR1A P37288 2/20 0.35
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
ABCB1 P08183 3/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33

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
SCHEMBL6476156 1.00 AVPR2 (0.39) AVPR2POLBPRMT5WDR77ALDH1A1
SCHEMBL6486476 0.93 AVPR2 (0.41) AVPR2POLBPRMT5WDR77AVPR1A
SCHEMBL6476757 0.93 AVPR2 (0.41) AVPR2POLBPRMT5WDR77AVPR1A
SCHEMBL6475735 0.91 AVPR2 (0.43) AVPR2ALDH1A1TDP1KDM4EAVPR1A
SCHEMBL6475993 0.87 AVPR2 (0.45) AVPR2POLBALDH1A1AVPR1A
SCHEMBL5785604 0.87 AVPR2 (0.42) AVPR2AVPR1A
SCHEMBL5784602 0.87 AVPR2 (0.49) AVPR2AVPR1AMEN1KMT2A
SCHEMBL5782086 0.86 AVPR2 (0.46) AVPR2AVPR1A
SCHEMBL5783786 0.86 AVPR2 (0.42) AVPR2ALDH1A1AVPR1AALOX15
SCHEMBL5785061 0.86 AVPR2 (0.41) AVPR2ALDH1A1TDP1AVPR1AMAPT

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-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
EP-1377583-A1 NOVEL TRICYCLIC HYDROXY CARBOXAMIDES AND DERIVATIVES THEREOF; TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS Wyeth (US) 2004-01-07 EP disclosed
US-20030018026-A1 Novel tricyclic hydroxy carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists WYETH (US) 2003-01-23 US disclosed
WO-2002083680-A1 NOVEL TRICYCLIC HYDROXY 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-20030018026-A1 Novel tricyclic hydroxy carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists OXTR, OPRL1, HCRTR2 AVPR2 45/4885POLB 2552/4885PRMT5 4025/4885

“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.