SCHEMBL5166368

SCHEMBL5166368

CCC(CC)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N1CCOCC1)c1coc(C)n1

nearest known ligand 0.87

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
OXTR P30559 20/20 0.87
AVPR2 P30518 2/20 0.87

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
SCHEMBL5165906 1.00 OXTR (0.87) OXTRAVPR2
Retosiban SCHEMBL21255735 0.93 OXTR (1.00) OXTRAVPR2
Retosiban SCHEMBL20240377 0.93 OXTR (1.00) OXTRAVPR2
Retosiban SCHEMBL29376892 0.93 OXTR (1.00) OXTRAVPR2
Retosiban SCHEMBL5224662 0.93 OXTR (1.00) OXTRAVPR2
Retosiban SCHEMBL230301 0.93 OXTR (1.00) OXTRAVPR2
SCHEMBL5420881 0.88 OXTR (0.68) OXTRAVPR2
SCHEMBL3929376 0.86 OXTR (1.00) OXTRAVPR2
SCHEMBL5164527 0.85 OXTR (1.00) OXTRAVPR2
SCHEMBL5432398 0.85 OXTR (1.00) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070185162-A1 Substituted diketopiperazines as oxytocin receptor antagonists KONINKLIJKE PHILIPS ELECTRONICS, N.V. (NL) 2007-08-09 US claimed
US-20070185162-A1 Substituted diketopiperazines as oxytocin receptor antagonists KONINKLIJKE PHILIPS ELECTRONICS, N.V. (NL) 2007-08-09 US disclosed
US-20070185162-A1 Substituted diketopiperazines as oxytocin receptor antagonists KONINKLIJKE PHILIPS ELECTRONICS, N.V. (NL) 2007-08-09 US disclosed
US-20070185162-A1 Substituted diketopiperazines as oxytocin receptor antagonists KONINKLIJKE PHILIPS ELECTRONICS, N.V. (NL) 2007-08-09 US disclosed
EP-1768974-A1 SUBSTITUTED DIKETOPIPERAZINES AS OXYTOCIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2007-04-04 EP disclosed
WO-2006000759-A1 SUBSTITUTED DIKETOPIPERAZINES AS OXYTOCIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2006-01-05 WO disclosed
WO-2006000759-A1 SUBSTITUTED DIKETOPIPERAZINES AS OXYTOCIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2006-01-05 WO 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-20070185162-A1 Substituted diketopiperazines as oxytocin receptor antagonists OXTR, AVPR2, PRLHR OXTR 1/4885AVPR2 2/4885

“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.