SCHEMBL21255736

SCHEMBL21255736

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](CCC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)CC)NC2=O)cc1

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ OXTR P30559 11/20 0.72
▸ AVPR1A P37288 8/20 0.66
▸ AVPR2 P30518 7/20 0.66
▸ AVPR1B P47901 6/20 0.66
▸ PTGS1 P23219 1/20 0.62

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 SCHEMBL34316 0.95 OXTR (0.71) OXTRAVPR1AAVPR2AVPR1B
Atosiban SCHEMBL19712221 0.95 OXTR (0.71) OXTRAVPR1AAVPR2AVPR1B
Atosiban SCHEMBL29522709 0.95 OXTR (0.71) OXTRAVPR1AAVPR2AVPR1B
Atosiban SCHEMBL1648581 0.95 OXTR (0.71) OXTRAVPR1AAVPR2AVPR1B
Atosiban SCHEMBL4410202 0.94 OXTR (0.69) OXTRAVPR1AAVPR2AVPR1B
Atosiban SCHEMBL3138542 0.93 OXTR (0.69) OXTRAVPR1AAVPR2AVPR1B
Atosiban SCHEMBL4414282 0.92 OXTR (0.67) OXTRAVPR1AAVPR2AVPR1B
SCHEMBL15511860 0.90 OXTR (0.81) OXTRAVPR1AAVPR2AVPR1B
SCHEMBL14059683 0.88 OXTR (0.78) OXTRAVPR1AAVPR2AVPR1B
SCHEMBL26813594 0.85 OXTR (0.58) OXTRAVPR1AAVPR2AVPR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190247361-A1 OXYTOCIN ANTAGONIST DOSING REGIMENS FOR PROMOTING EMBRYO IMPLANTATION AND PREVENTING MISCARRIAGE ReproNovo SA (CH) 2019-08-15 — — 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 (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-20190247361-A1 OXYTOCIN ANTAGONIST DOSING REGIMENS FOR PROMOTING EMBRYO IMPLANTATION AND PREVENTING MISCARRIAGE OXTR, PGF, PRLHR OXTR 1/4885AVPR1A 77/4885AVPR2 47/4885

“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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