SCHEMBL21149313

SCHEMBL21149313

CC(C)OC(=O)N1CC(C(F)F)C1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HDAC2 Q92769 1/20 0.38
▸ CHRNB2 P17787 2/20 0.36
▸ CHRNA4 P43681 2/20 0.36
▸ CHRNB4 P30926 1/20 0.36
▸ CHRNA3 P32297 1/20 0.36
▸ PDE4B Q07343 2/20 0.36
▸ MAP3K12 Q12852 1/20 0.35
▸ TSHR P16473 1/20 0.34
▸ RORC P51449 2/20 0.33
▸ GPR119 Q8TDV5 6/20 0.33
▸ MGLL Q99685 1/20 0.33
▸ HSD11B1 P28845 1/20 0.32
▸ KCNK3 O14649 1/20 0.31
▸ KCNK9 Q9NPC2 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
SCHEMBL26294765 0.83 CHRNB2 (0.38) HDAC2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL12206738 0.79 CHRNB2 (0.38) HDAC2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL10139547 0.79 CHRNB2 (0.50) HDAC2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL21149672 0.78 GAA (0.43) TSHR
SCHEMBL30674446 0.78 CHRNB2 (0.47) HDAC2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL21149326 0.77 RORC (0.37) HDAC2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL10190233 0.77 NR1H2 (0.50) RORC
SCHEMBL14752960 0.76 MAPT (0.39) HDAC2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL19686575 0.76 CHRNB2 (0.40) HDAC2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL19686595 0.76 CHRNB2 (0.37) HDAC2CHRNB2CHRNA4CHRNB4CHRNA3

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-10774053-B2 HIV protease inhibitors GILEAD SCIENCES, INC. (US) 2020-09-15 — — US disclosed
US-20190210978-A1 HIV PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2019-07-11 — — 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-10774053-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN HDAC2 403/4885CHRNB2 4884/4885CHRNA4 4870/4885
US-20190210978-A1 HIV PROTEASE INHIBITORS PRSS1, SERPINB1, HPN HDAC2 315/4885CHRNB2 4883/4885CHRNA4 4869/4885

“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.

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