SCHEMBL5429019

SCHEMBL5429019

Cc1cc(C(=O)N2CCCCc3sccc32)ccc1COC(=O)N1CCC[C@@H]1C(=O)N1CCCN(C)CC1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 18/20 0.67
OXTR P30559 11/20 0.67
AVPR1A P37288 3/20 0.46
AVPR1B P47901 1/20 0.43
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM3 P20309 1/20 0.41
DRD3 P35462 1/20 0.41
OPRK1 P41145 1/20 0.41

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
SCHEMBL1660513 1.00 AVPR2 (0.67) AVPR2OXTRAVPR1AAVPR1BCHRM2
Trifluoroacetic Acid SCHEMBL6202890 0.95 AVPR2 (0.62) AVPR2OXTRAVPR1AAVPR1BCHRM2
SCHEMBL5435288 0.87 AVPR2 (0.88) AVPR2OXTRAVPR1ACHRM2CHRM4
SCHEMBL6202894 0.86 AVPR2 (0.53) AVPR2OXTRAVPR1AAVPR1B
SCHEMBL6366104 0.80 AVPR2 (0.51) AVPR2OXTRAVPR1AAVPR1B
SCHEMBL38963 0.79 AVPR2 (0.47) AVPR2OXTRAVPR1AAVPR1B
SCHEMBL1662737 0.76 AVPR2 (0.73) AVPR2OXTRAVPR1ACHRM2CHRM4
SCHEMBL6202295 0.75 AVPR1A (0.46) AVPR2OXTRAVPR1AAVPR1B
SCHEMBL6202233 0.74 AVPR2 (0.67) AVPR2OXTRAVPR1A
SCHEMBL6202773 0.74 AVPR1A (0.55) AVPR2OXTRAVPR1AAVPR1B

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 13 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
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-9119805-B2 Therapy and prevention of problem drinking THE UNIVERSITY OF SYDNEY (AU) 2015-09-01 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
US-20120270785-A1 Therapy and Prevention of Problem Drinking THE UNIVERSITY OF SYDNEY (AU) 2012-10-25 US 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 (6 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 AVPR2 8/4885OXTR 1/4885AVPR1A 2/4885
US-20040235753-A1 Oxytocin agonists OXTR, GNRHR, PRLHR AVPR2 10/4885OXTR 1/4885AVPR1A 7/4885
US-20150005229-A1 Methods and Pharmaceutical Composition for the Treatment of a Feeding Disorder with Early-Onset in a Patient OXTR, OPRL1, GHRHR AVPR2 12/4885OXTR 1/4885AVPR1A 10/4885
US-20160058830-A1 Therapy and Prevention of Problem Drinking OXTR, AVPR1B, AVPR1A AVPR2 4/4885OXTR 1/4885AVPR1A 3/4885
US-20120270785-A1 Therapy and Prevention of Problem Drinking OXTR, AVPR1B, AVPR1A AVPR2 4/4885OXTR 1/4885AVPR1A 3/4885
US-20130102528-A1 Methods and Pharmaceutical Composition for the Treatment of a Feeding Disorder with Early-Onset in a Patient OXTR, OPRL1, GHRHR AVPR2 12/4885OXTR 1/4885AVPR1A 10/4885

“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.