Atosiban

Atosiban

SCHEMBL4414282

CCOc1ccc(C[C@H]2NC(=O)CCSSC[C@@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)CC)NC2=O)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

OXTR

The experimentally established mechanism targets of Atosiban. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ OXTR known ✓ P30559 5/20 0.67
▸ AVPR1A P37288 2/20 0.65
▸ AVPR1B P47901 2/20 0.65
▸ AVPR2 P30518 2/20 0.65

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
Atosiban SCHEMBL29522709 0.97 OXTR (0.71) OXTRAVPR1AAVPR1BAVPR2
Atosiban SCHEMBL1648581 0.97 OXTR (0.71) OXTRAVPR1AAVPR1BAVPR2
Atosiban SCHEMBL19712221 0.97 OXTR (0.71) OXTRAVPR1AAVPR1BAVPR2
Atosiban SCHEMBL34316 0.97 OXTR (0.71) OXTRAVPR1AAVPR1BAVPR2
Atosiban SCHEMBL4410202 0.96 OXTR (0.69) OXTRAVPR1AAVPR1BAVPR2
Atosiban SCHEMBL3138542 0.95 OXTR (0.69) OXTRAVPR1AAVPR1BAVPR2
SCHEMBL21255736 0.92 OXTR (0.72) OXTRAVPR1AAVPR1BAVPR2
SCHEMBL26813594 0.87 OXTR (0.58) OXTRAVPR1AAVPR1BAVPR2
Atosiban SCHEMBL13723569 0.86 OXTR (0.56) OXTRAVPR1AAVPR1BAVPR2
SCHEMBL15511860 0.86 OXTR (0.81) OXTRAVPR1AAVPR1BAVPR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103980350-A Solid-phase cyclization synthesis method of Atosiban HANGZHOU SINOPEP PHARMACEUTICA 2014-08-13 — — CN disclosed
EP-2119724-A1 Solid-phase process foor the preparation of goserelin Novetide Ltd. (IL) 2009-11-18 — — EP disclosed
EP-2119725-A1 Methods for the production of leuprolide Novetide Ltd. (IL) 2009-11-18 — — EP disclosed
EP-1773870-A2 METHODS FOR THE PRODUCTION OF PEPTIDE HAVING A C-TERMINAL AMIDE Novetide Ltd. (IL) 2007-04-18 — — EP disclosed
US-20060276626-A1 Methods for the production of peptide derivatives TEVA PHARMACEUTICALS USA, INC. 2006-12-07 — — US disclosed
WO-2006119388-A2 METHODS FOR THE PRODUCTION OF PEPTIDE HAVING A C-TERMINAL AMIDE NOVETIDE, LTD. (IL) 2006-11-09 — — 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 (1 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-20060276626-A1 Methods for the production of peptide derivatives VIP, IAPP, PTMS OXTR 1488/4885AVPR1A 349/4885AVPR1B 376/4885

“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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