SCHEMBL23100381

SCHEMBL23100381

CCCCC(C)(C)C1CN(C(=O)OC)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.45
CHRNA4 P43681 2/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
TSHR P16473 1/20 0.34
CTSK P43235 1/20 0.34
NR1H2 P55055 1/20 0.33
HRH2 P25021 1/20 0.31
HRH1 P35367 1/20 0.31
PDE4B Q07343 2/20 0.31
PRSS1 P07477 1/20 0.31
CTSG P08311 1/20 0.31
CTRB1 P17538 1/20 0.31
CMA1 P23946 1/20 0.31
BCHE P06276 1/20 0.31
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL20106620 0.79 CHRNB2 (0.41) CHRNB2CHRNA4CHRNB4CHRNA3CA1
SCHEMBL21166014 0.76 CHRNB2 (0.41) CHRNB2CHRNA4CHRNB4CHRNA3CA1
SCHEMBL21165975 0.76 CHRNB2 (0.41) CHRNB2CHRNA4CHRNB4CHRNA3CA1
SCHEMBL15298467 0.75 CHRNB2 (0.52) CHRNB2CHRNA4CHRNB4CHRNA3TSHR
SCHEMBL22419964 0.75 CHRNB2 (0.40) CHRNB2CHRNA4CHRNB4CHRNA3CA1
SCHEMBL19504457 0.73 CHRNB2 (0.46) CHRNB2CHRNA4CHRNB4CHRNA3CA1
SCHEMBL21191576 0.71 GLB1 (0.32) SIGMAR1
SCHEMBL20053357 0.69 CHRNB2 (0.50) CHRNB2CHRNA4CHRNB4CHRNA3LMNA
SCHEMBL20053294 0.69 GAA (0.46) TSHRNR1H2POLBSMN1; SMN2TDP1
SCHEMBL12909937 0.68 CHRNB2 (0.48) CHRNB2CHRNA4CHRNB4CHRNA3TSHR

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-20210078991-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2021-03-18 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-20210078991-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 CHRNB2 4524/4885CHRNA4 4694/4885CHRNB4 4683/4885

“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.