SCHEMBL45247

SCHEMBL45247

Cc1cc(C(=O)N2CCC(=O)Nc3ccccc32)ccc1CNC(=O)N1CCC(=S)[C@H]1C(=O)N1CCCN(C)CC1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OXTR P30559 9/20 0.59
AVPR1A P37288 7/20 0.59
AVPR2 P30518 15/20 0.58
CHRM2 P08172 1/20 0.58
CHRM4 P08173 1/20 0.58
CHRM5 P08912 1/20 0.58
CHRM3 P20309 1/20 0.58
DRD3 P35462 1/20 0.58
OPRK1 P41145 1/20 0.58

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
SCHEMBL45248 0.88 OXTR (0.71) OXTRAVPR1AAVPR2CHRM2CHRM4
SCHEMBL1660631 0.88 OXTR (0.76) OXTRAVPR1AAVPR2CHRM2CHRM4
SCHEMBL1662737 0.82 AVPR2 (0.73) OXTRAVPR1AAVPR2CHRM2CHRM4
SCHEMBL6204681 0.79 AVPR1A (0.69) OXTRAVPR1AAVPR2CHRM2CHRM4
Iodide SCHEMBL6202511 0.79 AVPR1A (0.68) OXTRAVPR1AAVPR2CHRM2CHRM4
Trifluoroacetic Acid SCHEMBL6202229 0.79 AVPR2 (0.67) OXTRAVPR1AAVPR2CHRM2CHRM4
SCHEMBL6199829 0.75 OXTR (0.90) OXTRAVPR1AAVPR2CHRM2CHRM4
SCHEMBL4840202 0.74 AVPR1A (0.91) OXTRAVPR1AAVPR2CHRM2CHRM4
SCHEMBL19253308 0.73 OXTR (1.00) OXTRAVPR1AAVPR2CHRM2CHRM4
SCHEMBL29578648 0.73 OXTR (1.00) OXTRAVPR1AAVPR2CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070117794-A1 Methods of treatment using oxytocin receptor agonists WYETH (US) 2007-05-24 US claimed
EP-1399436-B1 OXYTOCIN AGONISTS FERRING BV (NL) 2005-03-16 EP claimed
US-20040235753-A1 Oxytocin agonists PITT GRAY ROBERT WILLIAM (GB) 2004-11-25 US claimed
EP-2575853-B1 METHODS AND PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF A FEEDING DISORDER WITH EARLY-ONSET IN A PATIENT INSERM INST NAT DE LA SANTÉ ET DE LA RECH MÉDICALE (FR) 2016-08-24 EP disclosed
US-20160058830-A1 Therapy and Prevention of Problem Drinking THE UNIVERSITY OF SYDNEY (AU) 2016-03-03 US disclosed
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
EP-2482835-B1 THERAPY AND PREVENTION OF PROBLEM DRINKING UNIV SYDNEY (AU) 2014-07-02 EP 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-2575853-A1 METHODS AND PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF A FEEDING DISORDER WITH EARLY-ONSET IN A PATIENT INSERM - Institut National de la Santé et de la Recherche Médicale (FR) 2013-04-10 EP disclosed
WO-2011147889-A1 METHODS AND PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF A FEEDING DISORDER WITH EARLY-ONSET IN A PATIENT INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2011-12-01 WO disclosed
US-20070117794-A1 Methods of treatment using oxytocin receptor agonists WYETH (US) 2007-05-24 US disclosed
EP-1399436-B1 OXYTOCIN AGONISTS FERRING BV (NL) 2005-03-16 EP disclosed
US-20040235753-A1 Oxytocin agonists PITT GRAY ROBERT WILLIAM (GB) 2004-11-25 US 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 (5 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 OXTR 1/4885AVPR1A 2/4885AVPR2 8/4885
US-20040235753-A1 Oxytocin agonists OXTR, GNRHR, PRLHR OXTR 1/4885AVPR1A 7/4885AVPR2 10/4885
US-20150005229-A1 Methods and Pharmaceutical Composition for the Treatment of a Feeding Disorder with Early-Onset in a Patient OXTR, OPRL1, GHRHR OXTR 1/4885AVPR1A 10/4885AVPR2 12/4885
US-20160058830-A1 Therapy and Prevention of Problem Drinking OXTR, AVPR1B, AVPR1A OXTR 1/4885AVPR1A 3/4885AVPR2 4/4885
US-20130102528-A1 Methods and Pharmaceutical Composition for the Treatment of a Feeding Disorder with Early-Onset in a Patient OXTR, OPRL1, GHRHR OXTR 1/4885AVPR1A 10/4885AVPR2 12/4885

“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.