SCHEMBL17660643

SCHEMBL17660643

COC(=O)N1CC[C@H](OC(C)C)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.40
CHRNB2 P17787 2/20 0.40
CHRNA4 P43681 2/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
PDE4B Q07343 4/20 0.39
PDE4A P27815 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2D6 P10635 2/20 0.36
TSHR P16473 1/20 0.36
KCNQ3 O43525 1/20 0.36
KCNQ2 O43526 1/20 0.36
EPHX1 P07099 1/20 0.35
BRD4 O60885 1/20 0.34
BRDT Q58F21 1/20 0.34
BTK Q06187 1/20 0.34
PIK3CD O00329 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
SCHEMBL19686591 1.00 HSD11B1 (0.40) HSD11B1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL8299600 0.89 CYP1A2 (0.42) HSD11B1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL14290751 0.85 CHRNB2 (0.48) HSD11B1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL18035981 0.82 MEN1 (0.34) HSD11B1KCNQ3KCNQ2BTKALDH1A1
SCHEMBL17660647 0.82 PDE4B (0.35) HSD11B1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL25094200 0.82 PDE4B (0.35) HSD11B1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL18035978 0.82 MEN1 (0.34) HSD11B1KCNQ3KCNQ2BTKALDH1A1
SCHEMBL12448268 0.82 PDE4B (0.35) HSD11B1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL15802795 0.82 HPGD (0.47) PDE4BEPHX1PIK3CDALDH1A1
SCHEMBL3332529 0.82 HPGD (0.47) PDE4BEPHX1PIK3CDALDH1A1

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-10040781-B2 Tank-binding kinase inhibitor compounds GILEAD SCIENCES, INC. (US) 2018-08-07 US disclosed
US-20160096827-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2016-04-07 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-10040781-B2 Tank-binding kinase inhibitor compounds TBKBP1, TNKS1BP1, TNKS HSD11B1 3493/4885CHRNB2 4074/4885CHRNA4 4694/4885
US-20160096827-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS HSD11B1 3493/4885CHRNB2 4074/4885CHRNA4 4694/4885

“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.