SCHEMBL2823023

SCHEMBL2823023

CN(C)CCNC(=O)CCN1CCCc2ccccc21

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 16/20 0.62
▸ CHRM4 P08173 16/20 0.62
▸ CHRM1 P11229 16/20 0.62
▸ CHRM3 P20309 14/20 0.62
▸ ALDH1A1 P00352 3/20 0.57
▸ GAA P10253 2/20 0.57
▸ CYP1A2 P05177 1/20 0.57
▸ CYP3A4 P08684 1/20 0.57
▸ CYP2D6 P10635 1/20 0.57
▸ CYP2C19 P33261 1/20 0.57
▸ ALOX15 P16050 1/20 0.54
▸ GFER P55789 1/20 0.54
▸ KDM4E B2RXH2 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ PTK2B Q14289 1/20 0.53
▸ ESR2 Q92731 1/20 0.53

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
SCHEMBL17635590 0.85 CHRM2 (0.50) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL14288519 0.85 CHRM2 (0.63) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL2822089 0.83 ALDH1A1 (0.49) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL1450332 0.79 ALDH1A1 (0.82) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL28638610 0.77 CHRM2 (1.00) CHRM2CHRM4CHRM1CHRM3KDM4E
SCHEMBL29930240 0.77 CHRM2 (1.00) CHRM2CHRM4CHRM1CHRM3KDM4E
SCHEMBL21248553 0.76 CHRM2 (0.65) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL10559940 0.76 ALDH1A1 (0.58) CHRM2CHRM4CHRM1CHRM3ALDH1A1
Acetic Acid SCHEMBL10985679 0.76 MAPT (0.56) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL1091210 0.76 MEN1 (0.82) CHRM2CHRM4CHRM1CHRM3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476443-B2 Fluorescent dyes ENZO LIFE SCIENCES, INC. (US) 2013-07-02 — — US disclosed
US-8476443-B2 Fluorescent dyes ENZO LIFE SCIENCES, INC. (US) 2013-07-02 — — US disclosed
US-8476443-B2 Fluorescent dyes ENZO LIFE SCIENCES, INC. (US) 2013-07-02 — — US disclosed
US-20130115651-A1 FLUORESCENT DYES ENZO BIOCHEM, INC. (US) 2013-05-09 — — US disclosed
US-20130115651-A1 FLUORESCENT DYES ENZO BIOCHEM, INC. (US) 2013-05-09 — — US disclosed
US-20130115651-A1 FLUORESCENT DYES ENZO BIOCHEM, INC. (US) 2013-05-09 — — US disclosed
US-8362250-B2 Fluorescent dyes and compounds, methods and kits useful for identifying specific organelles and regions in cells of interest ENZO BIOCHEM, INC. (US) 2013-01-29 — — US disclosed
US-8362250-B2 Fluorescent dyes and compounds, methods and kits useful for identifying specific organelles and regions in cells of interest ENZO BIOCHEM, INC. (US) 2013-01-29 — — US disclosed
US-8362250-B2 Fluorescent dyes and compounds, methods and kits useful for identifying specific organelles and regions in cells of interest ENZO BIOCHEM, INC. (US) 2013-01-29 — — US disclosed
WO-2011034623-A2 FLUORESCENT DYES AND COMPOUNDS, METHODS AND KITS USEFUL FOR IDENTIFYING SPECIFIC ORGANELLES AND REGIONS IN CELLS OF INTEREST ENZO BIOCHEM, INC. (US) 2011-03-24 — — WO disclosed
US-20100068752-A1 Novel fluorescent dyes and compounds, methods and kits useful for identifying specific organelles and regions in cells of interest ENZO LIFE SCIENCES, INC. 2010-03-18 — — US disclosed
US-20100068752-A1 Novel fluorescent dyes and compounds, methods and kits useful for identifying specific organelles and regions in cells of interest ENZO LIFE SCIENCES, INC. 2010-03-18 — — US disclosed
US-20100068752-A1 Novel fluorescent dyes and compounds, methods and kits useful for identifying specific organelles and regions in cells of interest ENZO LIFE SCIENCES, INC. 2010-03-18 — — 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-20130115651-A1 FLUORESCENT DYES ANXA5, SSBP1, IARS1 CHRM2 4852/4885CHRM4 4629/4885CHRM1 4801/4885
US-20100068752-A1 Novel fluorescent dyes and compounds, methods and kits useful for identifying specific organelles and regions in cells of interest SSBP1, YARS1, ANXA5 CHRM2 4721/4885CHRM4 4361/4885CHRM1 4671/4885

“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.

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