SCHEMBL5420864

SCHEMBL5420864

CCC(CC)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1C(C(=O)Nc1ccccc1O)c1ccc(C)nc1

nearest known ligand 0.80

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ OXTR P30559 20/20 0.80

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
SCHEMBL5428803 0.89 OXTR (1.00) OXTR
SCHEMBL5422788 0.86 OXTR (0.83) OXTR
SCHEMBL5420992 0.86 OXTR (0.80) OXTR
SCHEMBL5419731 0.84 OXTR (1.00) OXTR
SCHEMBL5423489 0.84 OXTR (0.57) OXTR
SCHEMBL5426018 0.83 OXTR (0.60) OXTR
SCHEMBL1598224 0.82 OXTR (0.81) OXTR
SCHEMBL9975177 0.82 OXTR (0.81) OXTR
SCHEMBL5483388 0.82 OXTR (0.81) OXTR
SCHEMBL9975175 0.80 OXTR (0.80) OXTR

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 3 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 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

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 1/4885

“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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