SCHEMBL4699230

SCHEMBL4699230

Cn1ncc2c1Nc1ccccc1N(C(=O)c1ccc(CNC(=O)N3CCN(Cc4cc(O)cc(O)c4)CC3)cc1Cl)C2

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 20/20 0.72
OXTR P30559 5/20 0.72
AVPR2 P30518 2/20 0.72

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
SCHEMBL8370911 0.92 AVPR1A (0.72) AVPR1AOXTRAVPR2
SCHEMBL4838012 0.88 AVPR1A (0.56) AVPR1AOXTRAVPR2
SCHEMBL5389294 0.88 AVPR1A (0.60) AVPR1AOXTRAVPR2
SCHEMBL4828863 0.87 AVPR1A (0.56) AVPR1AOXTRAVPR2
SCHEMBL4697703 0.86 AVPR1A (0.85) AVPR1AOXTRAVPR2
SCHEMBL31737367 0.84 AVPR1A (1.00) AVPR1AOXTRAVPR2
SCHEMBL2598091 0.84 AVPR1A (1.00) AVPR1AOXTRAVPR2
Hydrochloric Acid SCHEMBL29580282 0.83 AVPR1A (0.99) AVPR1AOXTRAVPR2
SCHEMBL4695457 0.83 AVPR1A (0.86) AVPR1AOXTRAVPR2
Hydrochloric Acid SCHEMBL5428661 0.83 AVPR1A (0.99) AVPR1AOXTRAVPR2

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1948662-A2 TRICYCLIC COMPOUNDS USEFUL AS OXYTOCIN RECEPTOR AGONISTS Wyeth a Corporation of the State of Delaware (US) 2008-07-30 EP claimed
US-20070197608-A1 Piperazines as oxytocin agonists FERRING B.V. (NL) 2007-08-23 US claimed
US-20070117794-A1 Methods of treatment using oxytocin receptor agonists WYETH (US) 2007-05-24 US claimed
WO-2007050353-A2 TRICYCLIC COMPOUNDS USEFUL AS OXYTOCIN RECEPTOR AGONISTS WYETH (US) 2007-05-03 WO claimed
JP-2007504263-A 2007-03-01 JP claimed
EP-1660501-A2 PIPERAZINES AS OXYTOCIN AGONISTS FERRING B.V. (NL) 2006-05-31 EP claimed
WO-2005023812-A2 PIPERAZINES AS OXYTOCIN AGONISTS FERRING B.V. (NL) 2005-03-17 WO claimed
US-9125862-B2 Methods for the treatment of Prader-Willi-like syndrome or non-organic failure to thrive (NOFITT) feeding disorder using an agonist of the oxytocin receptor Institut National de la Sante et de la Rechereche Medicale (INSERM) (FR) 2015-09-08 US disclosed
US-20150005229-A1 Methods and Pharmaceutical Composition for the Treatment of a Feeding Disorder with Early-Onset in a Patient Institut National de la Sante et de la Rechereche Medicale (INSERM) (FR) 2015-01-01 US disclosed
US-8853158-B2 Methods for the treatment of a feeding disorder with onset during neonate development using an agonist of the oxytocin receptor INSTITUT NATIONAL DE LA SANTÉ ET DE LA RECHERCHE MÉDICALE (INSERM) (FR) 2014-10-07 US disclosed
US-20130102528-A1 Methods and Pharmaceutical Composition for the Treatment of a Feeding Disorder with Early-Onset in a Patient CHU DE TOULOUSE (FR) 2013-04-25 US disclosed
EP-1948662-A2 TRICYCLIC COMPOUNDS USEFUL AS OXYTOCIN RECEPTOR AGONISTS Wyeth a Corporation of the State of Delaware (US) 2008-07-30 EP disclosed
US-20070197608-A1 Piperazines as oxytocin agonists FERRING B.V. (NL) 2007-08-23 US disclosed
US-20070117794-A1 Methods of treatment using oxytocin receptor agonists WYETH (US) 2007-05-24 US disclosed
WO-2007050353-A2 TRICYCLIC COMPOUNDS USEFUL AS OXYTOCIN RECEPTOR AGONISTS WYETH (US) 2007-05-03 WO disclosed
EP-1660501-A2 PIPERAZINES AS OXYTOCIN AGONISTS FERRING B.V. (NL) 2006-05-31 EP disclosed
WO-2005023812-A2 PIPERAZINES AS OXYTOCIN AGONISTS FERRING B.V. (NL) 2005-03-17 WO disclosed
EP-1512687-A1 Piperazines as oxytocin agonists FERRING B.V. (NL) 2005-03-09 EP 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 (4 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-20070117794-A1 Methods of treatment using oxytocin receptor agonists OXTR, AVPR1A, PRLHR AVPR1A 2/4885OXTR 1/4885AVPR2 8/4885
US-20150005229-A1 Methods and Pharmaceutical Composition for the Treatment of a Feeding Disorder with Early-Onset in a Patient OXTR, OPRL1, GHRHR AVPR1A 10/4885OXTR 1/4885AVPR2 12/4885
US-20130102528-A1 Methods and Pharmaceutical Composition for the Treatment of a Feeding Disorder with Early-Onset in a Patient OXTR, OPRL1, GHRHR AVPR1A 10/4885OXTR 1/4885AVPR2 12/4885
US-20070197608-A1 Piperazines as oxytocin agonists OXTR, OPRL1, AVPR2 AVPR1A 6/4885OXTR 1/4885AVPR2 3/4885

“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.