SCHEMBL12727702

SCHEMBL12727702

Cc1ccc(C(C(=O)Nc2ccccc2O)N2C(=O)[C@@H](C3Cc4ccccc4C3)NC(=O)[C@H]2C(C)C)c(C)n1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ OXTR P30559 20/20 0.68
▸ AVPR2 P30518 2/20 0.57
▸ CYP3A4 P08684 1/20 0.45
▸ AVPR1A P37288 1/20 0.45

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
SCHEMBL11982229 0.92 OXTR (0.80) OXTRAVPR2
SCHEMBL1598441 0.92 OXTR (0.80) OXTRAVPR2
SCHEMBL9975175 0.92 OXTR (0.80) OXTRAVPR2
SCHEMBL5420992 0.92 OXTR (0.80) OXTRAVPR2
SCHEMBL13824096 0.88 OXTR (0.84) OXTRAVPR2CYP3A4AVPR1A
SCHEMBL13824411 0.83 OXTR (0.84) OXTRAVPR2CYP3A4AVPR1A
SCHEMBL1598563 0.81 OXTR (1.00) OXTRAVPR2
SCHEMBL5423436 0.80 OXTR (1.00) OXTRAVPR2
SCHEMBL1598224 0.79 OXTR (0.81) OXTRAVPR2
SCHEMBL9975177 0.79 OXTR (0.81) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7919492-B2 Compounds GLAXO GROUP LIMITED (GB) 2011-04-05 — — US disclosed
US-20100305127-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-12-02 — — US disclosed
US-20090247541-A1 Novel compounds BORTHWICK ALAN DAVID 2009-10-01 — — US disclosed
US-7550462-B2 Piperazinediones as oxytocin receptor antagonists GLAXO GROUP LIMITED (GB) 2009-06-23 — — 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 (2 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-20090247541-A1 Novel compounds OXTR, PRMT3, PRMT1 OXTR 1/4885AVPR2 4/4885CYP3A4 1843/4885
US-20100305127-A1 NOVEL COMPOUNDS OXTR, PRMT3, PRMT1 OXTR 1/4885AVPR2 4/4885CYP3A4 1843/4885

“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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