SCHEMBL5351302

SCHEMBL5351302

CC(C)(C)OC(=O)N[C@H](CCC1CCCCC1)C(=S)NC1CCN(c2ccccc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 1/20 0.43
SKP1 P63208 1/20 0.43
SKP2 Q13309 1/20 0.43
DRD2 P14416 3/20 0.43
DRD3 P35462 2/20 0.43
GPR119 Q8TDV5 1/20 0.42
ACE P12821 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
CHRM4 P08173 1/20 0.41
SCN9A Q15858 2/20 0.41
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KCNA3 P22001 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40

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
SCHEMBL5113701 0.88 BCHE (0.51) ACESMN1; SMN2KMT2AL3MBTL1BCHE
SCHEMBL5110138 0.88 BCHE (0.51) ACESMN1; SMN2KMT2AL3MBTL1BCHE
SCHEMBL5116779 0.88 BCHE (0.51) ACESMN1; SMN2KMT2AL3MBTL1BCHE
SCHEMBL5116776 0.88 BCHE (0.51) ACESMN1; SMN2KMT2AL3MBTL1BCHE
SCHEMBL5118683 0.87 BCHE (0.52) ACESMN1; SMN2KMT2AL3MBTL1BCHE
SCHEMBL5351867 0.85 HDAC4 (0.47) DRD2HDAC4HDAC1HDAC6CTSS
SCHEMBL5757618 0.83 CACNA1B (0.41) DRD2DRD3GPR119SMN1; SMN2CTSS
SCHEMBL5351304 0.82 GPR119 (0.44) CKS1BSKP1SKP2DRD2DRD3
SCHEMBL5116831 0.82 CHRM2 (0.46) HDAC4HDAC1HDAC6SMN1; SMN2BCHE
SCHEMBL5118772 0.81 SIGMAR1 (0.45) DRD3CHRM4BCHEACHE

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0997147-B1 AMINO ACID DERIVATIVES ONO PHARMACEUTICAL CO (JP) 2006-03-15 EP claimed
US-20030013725-A1 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. 2003-01-16 US claimed
EP-0997147-A1 AMINO ACID DERIVATIVES Ono Pharmaceutical Co., Ltd. (JP) 2000-05-03 EP claimed
US-7166590-B2 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-23 US disclosed
EP-0997147-B1 AMINO ACID DERIVATIVES ONO PHARMACEUTICAL CO (JP) 2006-03-15 EP disclosed
US-20030013725-A1 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. 2003-01-16 US disclosed
EP-0997147-A1 AMINO ACID DERIVATIVES Ono Pharmaceutical Co., Ltd. (JP) 2000-05-03 EP 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-20030013725-A1 Amino acid derivatives CACNA1B, SCN1A, SCN2A CKS1B 662/4885SKP1 1469/4885SKP2 453/4885

“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.