SCHEMBL19919573

SCHEMBL19919573

CN1CC(=O)NCC1(C)C

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
CRBN Q96SW2 1/20 0.41
TOP2A P11388 2/20 0.33
TOP2B Q02880 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL27047057 0.77 CRBN (0.38) SMN1; SMN2CRBNTOP2ATOP2BALDH1A1
SCHEMBL5449273 0.74 SMN1; SMN2 (0.50) SMN1; SMN2CRBN
SCHEMBL19919507 0.74 TOP2A (0.38) SMN1; SMN2CRBNTOP2ATOP2BALDH1A1
SCHEMBL21847510 0.73
SCHEMBL19280067 0.73 SMN1; SMN2 (0.35) SMN1; SMN2CRBN
SCHEMBL22445809 0.73 SMN1; SMN2 (0.35) SMN1; SMN2CRBN
SCHEMBL17191409 0.70 SMN1; SMN2 (0.33) SMN1; SMN2
SCHEMBL2555704 0.70
SCHEMBL27775974 0.68 NR1H2 (0.33)
SCHEMBL2995460 0.68 SMN1; SMN2 (0.48) SMN1; 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-20180057505-A1 BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY VERTEX PHARMACEUTICALS INCORPORATED 2018-03-01 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-20180057505-A1 BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, PARP12, TFPI2 SMN1; SMN2 4014/4885CRBN 4426/4885TOP2A 2113/4885

“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.