SCHEMBL6484005

SCHEMBL6484005

COc1ccccc1-c1ccc(C(=O)N2Cc3ccc(C(=O)N(C)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)n3Cc3ccccc32)cc1C

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 13/20 0.46
AVPR1A P37288 5/20 0.41
ROCK2 O75116 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 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
SCHEMBL6482881 0.94 AVPR2 (0.40) AVPR2AVPR1APDE4APDE4BPDE4C
SCHEMBL6484549 0.92 AVPR2 (0.48) AVPR2AVPR1AROCK2PDE4APDE4B
SCHEMBL6475175 0.92 AVPR2 (0.48) AVPR2AVPR1AROCK2PDE4APDE4B
SCHEMBL6484499 0.88 AVPR1A (0.38) AVPR2AVPR1A
SCHEMBL6476620 0.88 AVPR2 (0.44) AVPR2AVPR1AROCK2PDE4APDE4B
SCHEMBL5784089 0.86 AVPR2 (0.50) AVPR2AVPR1AROCK2PDE4APDE4B
SCHEMBL6486795 0.85 AVPR1A (0.40) AVPR2AVPR1A
SCHEMBL5784158 0.85 AVPR2 (0.49) AVPR2AVPR1AROCK2PDE4APDE4B
SCHEMBL6487114 0.84 AVPR2 (0.43) AVPR2AVPR1A
SCHEMBL5890931 0.82 AVPR2 (0.45) AVPR2AVPR1AROCK2PDE4APDE4B

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 2 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
US-20030018026-A1 Novel tricyclic hydroxy carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists WYETH (US) 2003-01-23 US claimed

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 30/4885ROCK2 4789/4885

“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.