SCHEMBL21709969

SCHEMBL21709969

C[C@@H]1CCC(=O)N(C)C[C@@H]1C

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 4/20 0.47
BRD4 O60885 11/20 0.39
BRD2 P25440 1/20 0.39
SRD5A2 P31213 2/20 0.39
CYP11B2 P19099 1/20 0.34
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31

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
SCHEMBL583977 0.79
SCHEMBL7914616 0.79
SCHEMBL18358128 0.79
SCHEMBL26750314 0.76 BRD4 (0.48) SRD5A1BRD4DDB1CRBNPDE4A
SCHEMBL23111146 0.73
SCHEMBL187766 0.73
SCHEMBL8233251 0.73
SCHEMBL325282 0.73
SCHEMBL587983 0.73
SCHEMBL15088399 0.73

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-10981900-B2 Spiro compound and use thereof MEDSHINE DISCOVERY INC. (CN) 2021-04-20 US disclosed
US-20200048235-A1 SPIRO COMPOUND AND USE THEREOF MEDSHINE DISCOVERY INC. (CN) 2020-02-13 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 (2 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-20200048235-A1 SPIRO COMPOUND AND USE THEREOF S1PR1, S1PR2, S1PR3 SRD5A1 172/4885BRD4 2627/4885BRD2 3991/4885
US-10981900-B2 Spiro compound and use thereof S1PR1, S1PR2, S1PR3 SRD5A1 172/4885BRD4 2627/4885BRD2 3991/4885

“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.