SCHEMBL15511399

SCHEMBL15511399

CC[C@H](C)C1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC1=O

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ AVPR1A P37288 10/20 0.78
▸ AVPR1B P47901 10/20 0.78
▸ AVPR2 P30518 7/20 0.78
▸ OXTR P30559 8/20 0.75
▸ PTGS1 P23219 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
SCHEMBL29387355 0.92 AVPR1A (0.73) AVPR1AAVPR1BAVPR2OXTR
Vasotocin SCHEMBL15511393 0.90 OXTR (0.86) AVPR1AAVPR1BAVPR2OXTRPTGS1
Argiprestocin SCHEMBL30424966 0.90 OXTR (0.86) AVPR1AAVPR1BAVPR2OXTRPTGS1
Vasotocin SCHEMBL13331 0.90 OXTR (0.86) AVPR1AAVPR1BAVPR2OXTRPTGS1
Vasotocin SCHEMBL15511347 0.90 OXTR (0.86) AVPR1AAVPR1BAVPR2OXTRPTGS1
Selepressin SCHEMBL19712231 0.89 OXTR (0.82) AVPR1AAVPR1BAVPR2OXTR
SCHEMBL15511015 0.89 OXTR (0.86) AVPR1AAVPR1BAVPR2OXTR
Selepressin SCHEMBL28487360 0.89 OXTR (0.82) AVPR1AAVPR1BAVPR2OXTR
Selepressin SCHEMBL19712230 0.89 OXTR (0.82) AVPR1AAVPR1BAVPR2OXTR
Vasopressin SCHEMBL1172390 0.89 AVPR1A (0.95) AVPR1AAVPR1BAVPR2OXTRPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11427612-B2 Epimerization-free N to C solid-phase peptide synthesis WAYNE STATE UNIVERSITY (US) 2022-08-30 — — US disclosed
US-20140066373-A1 TREATING DIABETES WITH OXYTOCIN OR OXYTOCIN ANALOGS ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2014-03-06 — — 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-11427612-B2 Epimerization-free N to C solid-phase peptide synthesis DNPEP, ANPEP, NGLY1 AVPR1A 2353/4885AVPR1B 2793/4885AVPR2 2346/4885

“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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