SCHEMBL21150127

SCHEMBL21150127

CC(C)OC(=O)N(C)C1CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
DPP4 P27487 4/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
AAK1 Q2M2I8 1/20 0.33
DPP8 Q6V1X1 2/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALOX5 P09917 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
DPP9 Q86TI2 2/20 0.32
GPR119 Q8TDV5 1/20 0.31
KCNH2 Q12809 1/20 0.31
ADAM10 O14672 1/20 0.31
ERBB2 P04626 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
SCHEMBL12206734 0.94 POLB (0.36) TSHRPOLBCTSKLIPE
SCHEMBL865059 0.92 TSHR (0.32) TSHRDPP4CHRNB2CHRNB4CHRNA3
SCHEMBL12282584 0.90 FAAH (0.41) TSHRPOLBCTSKLIPE
SCHEMBL12206729 0.87 PIK3CD (0.44) TSHRAAK1LIPE
SCHEMBL12206715 0.82 TSHR (0.33) TSHRLMNAHTTNPSR1
SCHEMBL12206718 0.82 SLC6A2 (0.38) TSHRCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL26645926 0.82 TSHR (0.33) TSHRCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL21502038 0.82 TSHR (0.33) TSHRCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL12206717 0.82 TSHR (0.33) TSHRLMNAHTTNPSR1
SCHEMBL12206733 0.80 PIK3CD (0.38) AAK1LMNASLC6A2SLC6A4SLC6A3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11352329-B2 HIV protease inhibitors GILEAD SCIENCES, INC. (US) 2022-06-07 US disclosed
US-20210078959-A1 HIV PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2021-03-18 US disclosed
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 (4 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-20210078959-A1 HIV PROTEASE INHIBITORS PRSS1, SERPINB1, FURIN TSHR 4797/4885DPP4 103/4885CHRNB2 4884/4885
US-10774053-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN TSHR 4797/4885DPP4 103/4885CHRNB2 4884/4885
US-11352329-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN TSHR 4797/4885DPP4 103/4885CHRNB2 4884/4885
US-20190210978-A1 HIV PROTEASE INHIBITORS PRSS1, SERPINB1, HPN TSHR 4832/4885DPP4 139/4885CHRNB2 4883/4885

“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.