SCHEMBL20968869

SCHEMBL20968869

CCC(C)(C)N1CCC(O)CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.37
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
GPR119 Q8TDV5 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
SPHK1 Q9NYA1 1/20 0.31
HTT P42858 1/20 0.30
MAPT P10636 1/20 0.30
MEN1 O00255 1/20 0.30
CYP2D6 P10635 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 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
SCHEMBL12219413 0.87 DPP4 (0.33) SHBGALDH1A1KDM4EGAA
SCHEMBL12218816 0.87 DPP4 (0.33) SHBGALDH1A1KDM4EGAA
SCHEMBL14671260 0.87 DPP4 (0.33) SHBGALDH1A1KDM4EGAA
SCHEMBL12422222 0.79 PHGDH (0.35) ALDH1A1KDM4EHRH3MEN1CYP2D6
SCHEMBL19656271 0.79
SCHEMBL14788270 0.77 HSD11B1 (0.36) HRH3CYP2D6
SCHEMBL14164304 0.77
SCHEMBL12346658 0.77 GNAI3 (0.38) SPHK1HTT
SCHEMBL12487354 0.77
SCHEMBL21121000 0.77 HRH3 (0.38) ALDH1A1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11339184-B2 Antibacterial compounds, compositions thereof, and methods using same THE ROCKEFELLER UNIVERSITY (US) 2022-05-24 US disclosed
US-20210024562-A1 ANTIBACTERIAL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS USING SAME THE ROCKEFELLER UNIVERSITY 2021-01-28 US disclosed
US-10759750-B2 Beta lactams as modulators of glutamate uptake and methods for use thereof Temple University—Of the Commonwealth System of Higher Education (US) 2020-09-01 US disclosed
US-10457692-B2 Pyrimido-diazepinone compounds and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-10-29 US disclosed
US-20190127323-A1 Novel Beta Lactams as Modulators of Glutamate Uptake and Methods for Use Thereof Temple University--of the Commonwealth System of Higher Education 2019-05-02 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 (5 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-10759750-B2 Beta lactams as modulators of glutamate uptake and methods for use thereof SLC1A2, SLC1A1, SLC7A11 SHBG 1014/4885ALDH1A1 885/4885KDM4E 1619/4885
US-11339184-B2 Antibacterial compounds, compositions thereof, and methods using same CLPP, MPO, SPOUT1 SHBG 3951/4885ALDH1A1 3433/4885KDM4E 4054/4885
US-10457692-B2 Pyrimido-diazepinone compounds and methods of treating disorders BRSK2, GRK3, BRSK1 SHBG 4789/4885ALDH1A1 4309/4885KDM4E 3369/4885
US-20190127323-A1 Novel Beta Lactams as Modulators of Glutamate Uptake and Methods for Use Thereof SLC1A2, SLC1A1, SLC7A11 SHBG 1599/4885ALDH1A1 1035/4885KDM4E 1876/4885
US-20210024562-A1 ANTIBACTERIAL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS USING SAME CLPP, MPO, SPOUT1 SHBG 3951/4885ALDH1A1 3433/4885KDM4E 4054/4885

“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.