SCHEMBL17130504

SCHEMBL17130504

O=C(CN1CCCCC1)OCCN1C(=O)CCC(N2C(=O)c3cccc(I)c3C2=O)C1=O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 14/20 0.39
CRBN Q96SW2 14/20 0.39
MAP1LC3B Q9GZQ8 4/20 0.37
TNF P01375 1/20 0.36
IL1B P01584 1/20 0.36
TBXA2R P21731 1/20 0.36
IKZF1 Q13422 1/20 0.36
IKZF3 Q9UKT9 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL4940270 0.90 DDB1 (0.45) DDB1CRBNMAP1LC3BTNFIL1B
SCHEMBL4936729 0.90 DDB1 (0.46) DDB1CRBNMAP1LC3BTNFIL1B
SCHEMBL4938579 0.89 DDB1 (0.46) DDB1CRBNMAP1LC3BTNFIL1B
SCHEMBL4939235 0.89 MAP1LC3B (0.44) DDB1CRBNMAP1LC3BIKZF3ALDH1A1
SCHEMBL4933651 0.89 DDB1 (0.47) DDB1CRBNMAP1LC3BTNFIL1B
Hydrochloric Acid SCHEMBL4938297 0.88 MAP1LC3B (0.44) DDB1CRBNMAP1LC3BIKZF3ALDH1A1
SCHEMBL4938812 0.87 DDB1 (0.42) DDB1CRBNMAP1LC3BALDH1A1
SCHEMBL19889410 0.85 DDB1 (0.37) DDB1CRBNMAP1LC3BTNFIL1B
SCHEMBL4936127 0.80 CRBN (0.44) DDB1CRBNMAP1LC3BALDH1A1SMN1; SMN2
SCHEMBL4937872 0.79 CRBN (0.45) DDB1CRBNMAP1LC3BALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150272940-A1 PIPERIDINE-2, 6-DIONE DERIVATIVES AND THEIR USE AS TUMOR NECROSIS FACTOR INHIBITORS TIANJIN HEMAY PHARMACEUTICAL CO., LTD. (CN) 2015-10-01 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-20150272940-A1 PIPERIDINE-2, 6-DIONE DERIVATIVES AND THEIR USE AS TUMOR NECROSIS FACTOR INHIBITORS TNF, TNFRSF1A, TNFRSF9 DDB1 2336/4885CRBN 896/4885MAP1LC3B 4651/4885

“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.