SCHEMBL14468463

SCHEMBL14468463

O=C1C[C@@H](C(=O)N[C@@H](CS)C(=O)N2CCC[C@H]2CO)N1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ HDAC3 O15379 2/20 0.40
▸ HDAC1 Q13547 2/20 0.40
▸ HDAC10 Q969S8 2/20 0.40
▸ HDAC11 Q96DB2 2/20 0.40
▸ HDAC8 Q9BY41 2/20 0.40
▸ HDAC6 Q9UBN7 2/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ TRHR P34981 4/20 0.39

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
SCHEMBL14543240 0.87 TRHR (0.40) L3MBTL1POLBHDAC3HDAC1HDAC10
SCHEMBL12250668 0.85 TRHR (0.41) HDAC3HDAC1HDAC10HDAC11HDAC8
SCHEMBL12228303 0.82 TRHR (0.56) TRHR
SCHEMBL14468464 0.81 TRHR (0.38) L3MBTL1TRHR
SCHEMBL14543010 0.81 HDAC3 (0.37) L3MBTL1HDAC3HDAC1HDAC10HDAC11
SCHEMBL14468379 0.79 POLB (0.45) L3MBTL1POLB
SCHEMBL14468460 0.78 BCHE (0.53) —
SCHEMBL14543241 0.76 ITGB1 (0.35) HDAC3HDAC1HDAC6
SCHEMBL14185774 0.72 TRHR (0.55) TRHR
SCHEMBL12228300 0.72 TRHR (0.57) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 L3MBTL1 2750/4885POLB 4614/4885HDAC3 1453/4885

“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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