SCHEMBL22333528

SCHEMBL22333528

CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ OXTR P30559 11/20 0.68
▸ AVPR2 P30518 5/20 0.68
▸ AVPR1A P37288 5/20 0.68
▸ AVPR1B P47901 5/20 0.68

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
SCHEMBL22333508 0.93 OXTR (0.77) OXTRAVPR2AVPR1AAVPR1B
SCHEMBL22333526 0.90 OXTR (0.73) OXTRAVPR2AVPR1AAVPR1B
SCHEMBL29738351 0.88 OXTR (0.89) OXTRAVPR2AVPR1AAVPR1B
SCHEMBL14008026 0.86 OXTR (0.73) OXTRAVPR2AVPR1AAVPR1B
SCHEMBL22333525 0.85 OXTR (0.73) OXTRAVPR2AVPR1AAVPR1B
SCHEMBL25597280 0.84 OXTR (0.79) OXTRAVPR2AVPR1AAVPR1B
SCHEMBL15511961 0.84 OXTR (0.88) OXTRAVPR2AVPR1AAVPR1B
SCHEMBL22333507 0.84 OXTR (0.89) OXTRAVPR2AVPR1AAVPR1B
Oxytocin SCHEMBL11275096 0.82 OXTR (0.89) OXTRAVPR2AVPR1AAVPR1B
SCHEMBL15512310 0.82 OXTR (0.86) OXTRAVPR2AVPR1AAVPR1B

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-20200255475-A1 METABOLITE INSPIRED SELECTIVE OXYTOCIN RECEPTOR AGONISTS Kinoxis Therapeutics Pty Ltd (AU) 2020-08-13 — — 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-20200255475-A1 METABOLITE INSPIRED SELECTIVE OXYTOCIN RECEPTOR AGONISTS OXTR, AVPR2, AVPR1A OXTR 1/4885AVPR2 2/4885AVPR1A 3/4885

“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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