SCHEMBL20164038

SCHEMBL20164038

CC(C)(C)OC(=O)N1CCCC[C@H]1c1cncc(Br)c1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 3/20 0.48
USP30 Q70CQ3 3/20 0.48
PRMT5 O14744 5/20 0.41
WDR77 Q9BQA1 5/20 0.41
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 1/20 0.41
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL20164037 1.00 UCHL1 (0.48) UCHL1USP30PRMT5WDR77ALDH1A1
SCHEMBL3357225 0.96 UCHL1 (0.52) UCHL1USP30ALDH1A1KMT2A
SCHEMBL6962727 0.96 UCHL1 (0.52) UCHL1USP30ALDH1A1KMT2A
SCHEMBL31226584 0.86 PRMT5 (0.41) UCHL1USP30PRMT5WDR77ALDH1A1
SCHEMBL31226315 0.86 PRMT5 (0.41) UCHL1USP30PRMT5WDR77ALDH1A1
SCHEMBL31226583 0.86 PRMT5 (0.41) UCHL1USP30PRMT5WDR77ALDH1A1
SCHEMBL31226242 0.85 USP30 (0.43) UCHL1USP30ALDH1A1KMT2ANR1H2
SCHEMBL31226300 0.85 PRMT5 (0.41) PRMT5WDR77ALDH1A1KMT2ANR1H2
SCHEMBL31226358 0.85 PRMT5 (0.41) PRMT5WDR77ALDH1A1KMT2ANR1H2
SCHEMBL31226629 0.83 USP30 (0.41) UCHL1USP30ALDH1A1KMT2ANR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11452293-B2 (S)-5-ethynyl-anabasine, derivatives thereof, and related compositions and methods of making and using IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2022-09-27 US disclosed
US-20200236936-A1 (S)-5-ETHYNYL-ANABASINE, DERIVATIVES THEREOF, AND RELATED COMPOSITIONS AND METHODS OF MAKING AND USING IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2020-07-30 US disclosed
US-10667515-B2 (S)-5-ethynyl-anabasine, derivatives thereof, and related compositions and methods of making and using IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2020-06-02 US disclosed
US-20190200611-A1 (S)-5-ETHYNYL-ANABASINE, DERIVATIVES THEREOF, AND RELATED COMPOSITIONS AND METHODS OF MAKING AND USING IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2019-07-04 US disclosed
US-20180139961-A1 (S)-5-ETHYNYL-ANABASINE, DERIVATIVES THEREOF, AND RELATED COMPOSITIONS AND METHODS OF MAKING AND USING IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2018-05-24 US disclosed
US-20180139961-A1 (S)-5-ETHYNYL-ANABASINE, DERIVATIVES THEREOF, AND RELATED COMPOSITIONS AND METHODS OF MAKING AND USING IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2018-05-24 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-10667515-B2 (S)-5-ethynyl-anabasine, derivatives thereof, and related compositions and methods of making and using AAAS, NANS, CIAPIN1 UCHL1 3896/4885USP30 3287/4885PRMT5 2196/4885
US-20190200611-A1 (S)-5-ETHYNYL-ANABASINE, DERIVATIVES THEREOF, AND RELATED COMPOSITIONS AND METHODS OF MAKING AND USING AAAS, NANS, CIAPIN1 UCHL1 3896/4885USP30 3287/4885PRMT5 2196/4885
US-20200236936-A1 (S)-5-ETHYNYL-ANABASINE, DERIVATIVES THEREOF, AND RELATED COMPOSITIONS AND METHODS OF MAKING AND USING AAAS, NANS, CIAPIN1 UCHL1 3896/4885USP30 3287/4885PRMT5 2196/4885
US-11452293-B2 (S)-5-ethynyl-anabasine, derivatives thereof, and related compositions and methods of making and using AAAS, NANS, CIAPIN1 UCHL1 3896/4885USP30 3287/4885PRMT5 2196/4885
US-20180139961-A1 (S)-5-ETHYNYL-ANABASINE, DERIVATIVES THEREOF, AND RELATED COMPOSITIONS AND METHODS OF MAKING AND USING AAAS, NANS, CIAPIN1 UCHL1 3896/4885USP30 3287/4885PRMT5 2196/4885

“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.