SCHEMBL5483388

SCHEMBL5483388

CCC(C)C1C(=O)NC(C2Cc3ccccc3C2)C(=O)N1C(C(=O)Nc1ccccc1O)c1cnc(C)cc1C

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ OXTR P30559 20/20 0.81
▸ AVPR2 P30518 2/20 0.52

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
SCHEMBL9975177 1.00 OXTR (0.81) OXTRAVPR2
SCHEMBL1598224 1.00 OXTR (0.81) OXTRAVPR2
SCHEMBL1599335 0.89 OXTR (1.00) OXTRAVPR2
SCHEMBL11982199 0.88 OXTR (0.73) OXTRAVPR2
SCHEMBL1597826 0.88 OXTR (0.73) OXTRAVPR2
SCHEMBL9975178 0.88 OXTR (0.73) OXTRAVPR2
SCHEMBL16531863 0.88 OXTR (0.73) OXTRAVPR2
SCHEMBL9975175 0.87 OXTR (0.80) OXTRAVPR2
SCHEMBL1598441 0.87 OXTR (0.80) OXTRAVPR2
SCHEMBL11982229 0.87 OXTR (0.80) OXTRAVPR2

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-20070254888-A1 Piperazinediones as Oxytocin Receptor Antagonists GLAXO GROUP LIMITED (GB) 2007-11-01 — — 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-20070254888-A1 Piperazinediones as Oxytocin Receptor Antagonists OXTR, PRLHR, AVPR2 OXTR 1/4885AVPR2 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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