SCHEMBL4697703

SCHEMBL4697703

Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)cc(C)c1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1

nearest known ligand 0.85

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 20/20 0.85
OXTR P30559 9/20 0.85
AVPR2 P30518 3/20 0.85
CHRM2 P08172 1/20 0.53
CHRM4 P08173 1/20 0.53
CHRM5 P08912 1/20 0.53
CHRM3 P20309 1/20 0.53
DRD3 P35462 1/20 0.53
OPRK1 P41145 1/20 0.53

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
SCHEMBL2598091 0.92 AVPR1A (1.00) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL31737367 0.92 AVPR1A (1.00) AVPR1AOXTRAVPR2CHRM2CHRM4
Hydrochloric Acid SCHEMBL29580282 0.91 AVPR1A (0.99) AVPR1AOXTRAVPR2CHRM2CHRM4
Hydrochloric Acid SCHEMBL5428661 0.91 AVPR1A (0.99) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL4695457 0.87 AVPR1A (0.86) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL4837407 0.86 AVPR1A (0.90) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL4699230 0.86 AVPR1A (0.72) AVPR1AOXTRAVPR2
SCHEMBL8370911 0.86 AVPR1A (0.72) AVPR1AOXTRAVPR2
SCHEMBL38380 0.85 AVPR1A (0.88) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL6024670 0.85 AVPR1A (0.86) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1512687-A1 Piperazines as oxytocin agonists FERRING B.V. (NL) 2005-03-09 EP 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
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-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 (2 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-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.