SCHEMBL12250682

SCHEMBL12250682

CC(=N)NCCC[C@H](NC(=O)[C@@H]1CC(=O)N1)C(=O)N1CCC[C@H]1C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 4/20 0.38
▸ HDAC1 Q13547 4/20 0.38
▸ HDAC10 Q969S8 4/20 0.38
▸ HDAC11 Q96DB2 4/20 0.38
▸ HDAC8 Q9BY41 4/20 0.38
▸ HDAC6 Q9UBN7 4/20 0.38
▸ HDAC2 Q92769 3/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC7 Q8WUI4 1/20 0.38
▸ HDAC9 Q9UKV0 1/20 0.38
▸ HDAC5 Q9UQL6 1/20 0.38
▸ OPRM1 P35372 2/20 0.36
▸ OPRK1 P41145 2/20 0.36
▸ TRHR P34981 4/20 0.36
▸ NCOR2 Q9Y618 1/20 0.35

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
SCHEMBL12250683 0.91 HDAC3 (0.39) HDAC3HDAC1HDAC10HDAC11HDAC8
SCHEMBL14543010 0.89 HDAC3 (0.37) HDAC3HDAC1HDAC10HDAC11HDAC8
SCHEMBL12228297 0.88 TRHR (0.49) TRHR
SCHEMBL12250684 0.85 TRHR (0.37) HDAC3HDAC1HDAC10HDAC11HDAC8
SCHEMBL12228302 0.78 TRHR (0.48) TRHR
SCHEMBL12228298 0.74 TRHR (0.47) TRHR
SCHEMBL14028665 0.72 TRHR (0.49) TRHR
SCHEMBL7273390 0.72 TRHR (0.43) TRHR
SCHEMBL16429653 0.71 TRHR (0.47) HDAC3HDAC1HDAC10HDAC11HDAC8
SCHEMBL16418493 0.71 TRHR (0.47) HDAC3HDAC1HDAC10HDAC11HDAC8

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-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

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 HDAC3 1453/4885HDAC1 1249/4885HDAC10 385/4885

“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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