SCHEMBL6476800

SCHEMBL6476800

Cc1cc(C(=O)N2Cc3ccc(C(=O)N4CCN(CCO)CC4)n3Cc3ccccc32)ccc1C1=CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 15/20 0.44
AVPR1A P37288 3/20 0.39
NAMPT P43490 1/20 0.36
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
OXTR P30559 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
SCHEMBL5106699 0.92 AVPR2 (0.49) AVPR2AVPR1AOXTR
SCHEMBL5107658 0.91 AVPR1A (0.41) AVPR2AVPR1AOXTR
SCHEMBL6476635 0.88 AVPR2 (0.48) AVPR2AVPR1ANAMPTALDH1A1POLB
SCHEMBL5105940 0.85 AVPR2 (0.47) AVPR2AVPR1A
SCHEMBL6475303 0.84 AVPR2 (0.46) AVPR2AVPR1ANAMPTALDH1A1
SCHEMBL5108897 0.83 AVPR1A (0.41) AVPR2AVPR1A
SCHEMBL6475993 0.83 AVPR2 (0.45) AVPR2AVPR1ANAMPTALDH1A1POLB
SCHEMBL6474773 0.82 AVPR2 (0.45) AVPR2AVPR1AALDH1A1
SCHEMBL6482710 0.81 AVPR2 (0.56) AVPR2AVPR1ANAMPTALDH1A1POLB
SCHEMBL5784680 0.81 AVPR2 (0.50) AVPR2AVPR1A

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 AVPR2 46/4885AVPR1A 21/4885NAMPT 4780/4885

“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.