SCHEMBL20164005

SCHEMBL20164005

CC(C)(C)OC(=O)N1CCCC[C@H]1c1cccnc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.59
PRMT5 O14744 1/20 0.57
WDR77 Q9BQA1 1/20 0.57
CHRNB2 P17787 3/20 0.56
CHRNA7 P36544 3/20 0.56
CHRNA4 P43681 3/20 0.56
ALDH1A1 P00352 4/20 0.56
KDM4E B2RXH2 2/20 0.56
KMT2A Q03164 3/20 0.55
GAA P10253 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
MAPT P10636 2/20 0.53
GPBAR1 Q8TDU6 1/20 0.53
TDP1 Q9NUW8 2/20 0.52
MEN1 O00255 1/20 0.52
HPGD P15428 1/20 0.52
CHRNB4 P30926 2/20 0.51
CHRNA3 P32297 2/20 0.51
CHRNA2 Q15822 2/20 0.51
HTR3E A5X5Y0 1/20 0.51

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
SCHEMBL30487081 1.00 LMNA (0.59) LMNAPRMT5WDR77CHRNB2CHRNA7
SCHEMBL8575615 1.00 LMNA (0.59) LMNAPRMT5WDR77CHRNB2CHRNA7
SCHEMBL23992271 0.96 ALDH1A1 (0.56) LMNAPRMT5WDR77CHRNB2CHRNA7
SCHEMBL30148091 0.96 ALDH1A1 (0.56) LMNAPRMT5WDR77CHRNB2CHRNA7
SCHEMBL24114777 0.96 ALDH1A1 (0.56) LMNAPRMT5WDR77CHRNB2CHRNA7
SCHEMBL30675171 0.93 GPR119 (0.53) LMNAPRMT5WDR77CHRNB2CHRNA7
SCHEMBL27703992 0.93 GPR119 (0.53) LMNAPRMT5WDR77CHRNB2CHRNA7
SCHEMBL5300891 0.88 LMNA (0.67) LMNAPRMT5WDR77CHRNB2CHRNA7
SCHEMBL5413682 0.86 LMNA (0.45) LMNAPRMT5WDR77CHRNB2CHRNA7
SCHEMBL18701778 0.85 RIPK1 (0.65) LMNAPRMT5WDR77CHRNB2CHRNA7

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 LMNA 1322/4885PRMT5 2196/4885WDR77 4778/4885
US-20190200611-A1 (S)-5-ETHYNYL-ANABASINE, DERIVATIVES THEREOF, AND RELATED COMPOSITIONS AND METHODS OF MAKING AND USING AAAS, NANS, CIAPIN1 LMNA 1322/4885PRMT5 2196/4885WDR77 4778/4885
US-20200236936-A1 (S)-5-ETHYNYL-ANABASINE, DERIVATIVES THEREOF, AND RELATED COMPOSITIONS AND METHODS OF MAKING AND USING AAAS, NANS, CIAPIN1 LMNA 1322/4885PRMT5 2196/4885WDR77 4778/4885
US-11452293-B2 (S)-5-ethynyl-anabasine, derivatives thereof, and related compositions and methods of making and using AAAS, NANS, CIAPIN1 LMNA 1322/4885PRMT5 2196/4885WDR77 4778/4885
US-20180139961-A1 (S)-5-ETHYNYL-ANABASINE, DERIVATIVES THEREOF, AND RELATED COMPOSITIONS AND METHODS OF MAKING AND USING AAAS, NANS, CIAPIN1 LMNA 1322/4885PRMT5 2196/4885WDR77 4778/4885

“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.