SCHEMBL6475869

SCHEMBL6475869

Cc1cc(C(=O)N2Cc3ccc(C(=O)N[C@@H](CO)C(=O)O)n3Cc3ccccc32)ccc1C1=CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 4/20 0.41
AVPR2 P30518 15/20 0.41
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34

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
SCHEMBL6476096 1.00 AVPR1A (0.41) AVPR1AAVPR2PDCD1CD274
SCHEMBL6489962 0.93 AVPR2 (0.42) AVPR1AAVPR2
SCHEMBL6486141 0.93 AVPR2 (0.42) AVPR1AAVPR2
SCHEMBL5105940 0.86 AVPR2 (0.47) AVPR1AAVPR2
SCHEMBL6476608 0.85 AVPR2 (0.37) AVPR1AAVPR2
SCHEMBL5108897 0.82 AVPR1A (0.41) AVPR1AAVPR2
SCHEMBL5106699 0.81 AVPR2 (0.49) AVPR1AAVPR2
SCHEMBL6486795 0.80 AVPR1A (0.40) AVPR1AAVPR2
SCHEMBL6476800 0.80 AVPR2 (0.44) AVPR1AAVPR2
SCHEMBL6192005 0.79 AVPR1A (0.43) AVPR1AAVPR2

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-6977254-B2 Hydroxy cyclohexenyl phenyl carboxamides tocolytic oxytocin receptor antagonists WYETH (US) 2005-12-20 US claimed
EP-1385849-A1 NOVEL HYDROXY CYCLOHEXENYL PHENYL CARBOXAMIDES TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS Wyeth (US) 2004-02-04 EP claimed
US-20020183311-A1 Novel hydroxy cyclohexenyl phenyl carboxamides tocolytic oxytocin receptor antagonists WYETH 2002-12-05 US claimed
WO-2002083679-A1 NOVEL HYDROXY CYCLOHEXENYL PHENYL CARBOXAMIDES TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS WYETH (US) 2002-10-24 WO claimed
US-6977254-B2 Hydroxy cyclohexenyl phenyl carboxamides tocolytic oxytocin receptor antagonists WYETH (US) 2005-12-20 US disclosed
EP-1385849-A1 NOVEL HYDROXY CYCLOHEXENYL PHENYL CARBOXAMIDES TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS Wyeth (US) 2004-02-04 EP disclosed
US-20020183311-A1 Novel hydroxy cyclohexenyl phenyl carboxamides tocolytic oxytocin receptor antagonists WYETH 2002-12-05 US disclosed
WO-2002083679-A1 NOVEL HYDROXY CYCLOHEXENYL PHENYL CARBOXAMIDES 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-20020183311-A1 Novel hydroxy cyclohexenyl phenyl carboxamides tocolytic oxytocin receptor antagonists OXTR, HTR1E, HTR3E AVPR1A 21/4885AVPR2 46/4885PDCD1 2493/4885

“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.