SCHEMBL20963084

SCHEMBL20963084

CC[C@H](C)[C@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSCC[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CCCC(N)=O)NC1=O

nearest known ligand 0.83

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ AVPR1A P37288 6/20 0.79
▸ OXTR P30559 15/20 0.78
▸ AVPR2 P30518 5/20 0.76
▸ AVPR1B P47901 5/20 0.76

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
Demoxytocin SCHEMBL38443 0.93 AVPR1A (0.88) AVPR1AOXTRAVPR2AVPR1B
Demoxytocin SCHEMBL29376547 0.93 AVPR1A (0.88) AVPR1AOXTRAVPR2AVPR1B
Demoxytocin SCHEMBL38442 0.93 AVPR1A (0.88) AVPR1AOXTRAVPR2AVPR1B
SCHEMBL15511808 0.92 AVPR1A (0.87) AVPR1AOXTRAVPR2AVPR1B
Oxytocin Trisulfide SCHEMBL30712243 0.91 AVPR1A (0.86) AVPR1AOXTRAVPR2AVPR1B
Oxytocin SCHEMBL28086558 0.90 OXTR (0.93) AVPR1AOXTRAVPR2AVPR1B
SCHEMBL15511850 0.90 OXTR (0.88) AVPR1AOXTRAVPR2AVPR1B
SCHEMBL15511596 0.88 AVPR1A (1.00) AVPR1AOXTRAVPR2AVPR1B
Nacartocin SCHEMBL15511773 0.88 AVPR1A (0.81) AVPR1AOXTRAVPR2AVPR1B
SCHEMBL19303330 0.88 OXTR (0.96) AVPR1AOXTRAVPR2AVPR1B

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-20190125824-A1 POWDER FORMULATION MONASH UNIVERSITY (AU) 2019-05-02 — — 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-20190125824-A1 POWDER FORMULATION OXTR, CRH, CRHBP AVPR1A 20/4885OXTR 1/4885AVPR2 7/4885

“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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