SCHEMBL12879219

SCHEMBL12879219

CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CCSCC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2ccc(F)cc2)NN[C@@H](CC(N)=O)C(=O)C(=O)[C@H](CCC(N)=O)NC1=O

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ OXTR P30559 16/20 0.72
▸ AVPR2 P30518 14/20 0.72
▸ AVPR1B P47901 12/20 0.72
▸ AVPR1A P37288 12/20 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
SCHEMBL12879218 0.97 OXTR (0.73) OXTRAVPR2AVPR1BAVPR1A
SCHEMBL15576201 0.96 OXTR (0.78) OXTRAVPR2AVPR1BAVPR1A
SCHEMBL15576205 0.93 OXTR (0.73) OXTRAVPR2AVPR1BAVPR1A
SCHEMBL12879224 0.92 OXTR (0.74) OXTRAVPR2AVPR1BAVPR1A
SCHEMBL15576197 0.92 OXTR (0.72) OXTRAVPR2AVPR1BAVPR1A
SCHEMBL15576198 0.91 OXTR (0.72) OXTRAVPR2AVPR1BAVPR1A
SCHEMBL15576200 0.91 OXTR (0.78) OXTRAVPR2AVPR1BAVPR1A
SCHEMBL15576190 0.89 OXTR (0.78) OXTRAVPR2AVPR1BAVPR1A
SCHEMBL12879222 0.89 OXTR (0.89) OXTRAVPR2AVPR1BAVPR1A
SCHEMBL15576202 0.88 OXTR (0.89) OXTRAVPR2AVPR1BAVPR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170326200-A1 Method of Treating Prader-Willi Syndrome FERRING B.V. (NL) 2017-11-16 — — US disclosed
US-8673841-B2 Oxytocin analogues FERRING B.V. (NL) 2014-03-18 — — US disclosed
US-20110044905-A1 OXYTOCIN ANALOGUES FERRING B.V. (NL) 2011-02-24 — — 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 (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-20110044905-A1 OXYTOCIN ANALOGUES OXTR, CRH, PRLHR OXTR 1/4885AVPR2 4/4885AVPR1B 5/4885
US-20170326200-A1 Method of Treating Prader-Willi Syndrome OXTR, MC2R, AVPR2 OXTR 1/4885AVPR2 3/4885AVPR1B 4/4885

“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.

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