SCHEMBL12228309

SCHEMBL12228309

NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cn1cccn1)NC(=O)[C@@H]1CC(=O)N1

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ TRHR P34981 6/20 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
SCHEMBL14468464 0.86 TRHR (0.38) TRHR
SCHEMBL12228300 0.82 TRHR (0.57) TRHR
SCHEMBL12228303 0.81 TRHR (0.56) TRHR
SCHEMBL14185774 0.80 TRHR (0.55) TRHR
SCHEMBL2548712 0.80 CTSC (0.36) TRHR
SCHEMBL12228283 0.78 TRHR (0.56) TRHR
Azetirelin SCHEMBL10703548 0.77 TRHR (0.62) TRHR
Azetirelin SCHEMBL250397 0.77 TRHR (0.62) TRHR
Azetirelin SCHEMBL7265691 0.77 TRHR (0.62) TRHR
Azetirelin SCHEMBL4958204 0.77 TRHR (0.62) TRHR

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-8044103-B2 Cyclic dipeptides and azetidinone compounds and their use in treating CNS injury and neurodegenerative disorders GEORGETOWN UNIVERSITY (US) 2011-10-25 — — US disclosed
US-20070161640-A1 Cyclic dipeptides and azetidinone compounds and their use in treating CNS injury and neurodegenerative disorders KOZIKOWSKI ALAN P 2007-07-12 — — US disclosed
US-7202279-B1 Cyclic dipeptides and azetidinone compounds and their use in treating CNS injury and neurodegenerative disorders GEORGETOWN UNIVERSITY (US) 2007-04-10 — — 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-20070161640-A1 Cyclic dipeptides and azetidinone compounds and their use in treating CNS injury and neurodegenerative disorders BDNF, PMP22, ADAM17 TRHR 2606/4885

“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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