SCHEMBL45615

SCHEMBL45615

Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCN(CCO)CC1

nearest known ligand 0.84

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 20/20 0.84
OXTR P30559 13/20 0.81
AVPR2 P30518 6/20 0.81
CHRM2 P08172 1/20 0.66
CHRM4 P08173 1/20 0.66
CHRM5 P08912 1/20 0.66
CHRM3 P20309 1/20 0.66
DRD3 P35462 1/20 0.66
OPRK1 P41145 1/20 0.66

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
SCHEMBL45440 0.93 AVPR1A (0.83) AVPR1AOXTRAVPR2CHRM2CHRM4
Hydrochloric Acid SCHEMBL4908895 0.93 AVPR1A (0.82) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL4837471 0.92 AVPR1A (0.81) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL4838357 0.92 AVPR1A (0.81) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL38949 0.92 AVPR1A (0.81) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL4828970 0.92 AVPR1A (0.80) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL4838282 0.92 AVPR1A (0.80) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL38380 0.91 AVPR1A (0.88) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL4828782 0.91 AVPR1A (0.79) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL38397 0.91 AVPR1A (0.81) AVPR1AOXTRAVPR2CHRM2CHRM4

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050032777-A1 Diazacycloalkanes as oxytocin agonists FEERING B.V. (NL) 2005-02-10 US 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
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-20080275026-A1 Benzamide derivatives as oxytocin agonists and vasopressin antagonists FERRING B.V. 2008-11-06 US disclosed
US-20080275026-A1 Benzamide derivatives as oxytocin agonists and vasopressin antagonists FERRING B.V. 2008-11-06 US disclosed
US-20080275026-A1 Benzamide derivatives as oxytocin agonists and vasopressin antagonists FERRING B.V. 2008-11-06 US disclosed
US-7407949-B2 Benzamide derivatives as oxytocin agonists and vasopressin antagonists FERRING B.V. (NL) 2008-08-05 US disclosed
US-7407949-B2 Benzamide derivatives as oxytocin agonists and vasopressin antagonists FERRING B.V. (NL) 2008-08-05 US disclosed
US-20060166971-A1 Benzamide derivatives as oxytocin agonists and vasopressin antagonists FERRING B.V. (NL) 2006-07-27 US disclosed
EP-1592693-A1 BENZAMIDE DERIVATIVES AS OXYTOCIN AGONISTS AND VASOPRESSIN ANTAGONISTS Ferring B.V. (NL) 2005-11-09 EP disclosed
US-20050032777-A1 Diazacycloalkanes as oxytocin agonists FEERING B.V. (NL) 2005-02-10 US disclosed
WO-2004072083-A1 BENZAMIDE DERIVATIVES AS OXYTOCIN AGONISTS AND VASOPRESSIN ANTAGONISTS FERRING B.V. (NL) 2004-08-26 WO disclosed
WO-2004072083-A1 BENZAMIDE DERIVATIVES AS OXYTOCIN AGONISTS AND VASOPRESSIN ANTAGONISTS FERRING B.V. (NL) 2004-08-26 WO disclosed
EP-1449844-A1 benzamide derivatives as oxytocin agonists and vasopressin antagonists FERRING B.V. (NL) 2004-08-25 EP disclosed
EP-1421087-A1 DIAZACYCLOALKANES AS OXYTOCIN AGONISTS FERRING B.V. (NL) 2004-05-26 EP disclosed
WO-2003016316-A1 DIAZACYCLOALKANES AS OXYTOCIN AGONISTS FERRING B.V. (NL) 2003-02-27 WO disclosed
WO-2003016316-A1 DIAZACYCLOALKANES AS OXYTOCIN AGONISTS FERRING B.V. (NL) 2003-02-27 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 (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-20050032777-A1 Diazacycloalkanes as oxytocin agonists OXTR, GNRHR, KISS1R AVPR1A 8/4885OXTR 1/4885AVPR2 15/4885
US-20080275026-A1 Benzamide derivatives as oxytocin agonists and vasopressin antagonists AVPR1A, AVPR2, AVPR1B AVPR1A 1/4885OXTR 4/4885AVPR2 2/4885
US-20060166971-A1 Benzamide derivatives as oxytocin agonists and vasopressin antagonists AVPR1A, AVPR2, AVPR1B AVPR1A 1/4885OXTR 4/4885AVPR2 2/4885
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

“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.