SCHEMBL20190860

SCHEMBL20190860

CC1(C)CN(C(=O)CI)CCO1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.35
CNR2 P34972 2/20 0.35
GRM5 P41594 1/20 0.34
PRMT5 O14744 2/20 0.34
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PLAT P00750 1/20 0.32
PDE7B Q9NP56 1/20 0.31
PIK3CD O00329 1/20 0.31
HTT P42858 1/20 0.31
TSHR P16473 1/20 0.31
PDE9A O76083 1/20 0.30
GLA P06280 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
Iodoacetamide SCHEMBL21543925 0.93 GRIN2B (0.37) GRIN2BSMN1; SMN2CNR2GRM5PRMT5
SCHEMBL20671838 0.85 ALDH1A1 (0.48) GRIN2BSMN1; SMN2CNR2GRM5PRMT5
SCHEMBL21565793 0.85 GRIN2B (0.37) GRIN2BSMN1; SMN2CNR2GRM5PRMT5
SCHEMBL21561646 0.84 GRIN2B (0.39) GRIN2BSMN1; SMN2CNR2GRM5PRMT5
SCHEMBL17572002 0.80 SMN1; SMN2 (0.50) GRIN2BSMN1; SMN2CNR2GRM5PRMT5
SCHEMBL21816817 0.79 SMN1; SMN2 (0.39) GRIN2BSMN1; SMN2CNR2GRM5PRMT5
SCHEMBL16391143 0.78 SMN1; SMN2 (0.35) GRIN2BSMN1; SMN2CNR2GRM5PRMT5
SCHEMBL15531346 0.77 SMN1; SMN2 (0.38) GRIN2BSMN1; SMN2CNR2GRM5PRMT5
SCHEMBL15114464 0.77 SMN1; SMN2 (0.38) GRIN2BSMN1; SMN2CNR2GRM5PRMT5
SCHEMBL21197563 0.77 GAA (0.39) GRIN2BSMN1; SMN2CNR2GRM5PRMT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11789025-B2 Reagents and methods for analysis of proteins and metabolites targeted by covalent probes DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-10-17 US claimed
US-10969394-B2 Reagents and methods for analysis of proteins and metabolites targeted by covalent probes DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-04-06 US claimed
US-20210072254-A1 Reagents and Methods for Analysis of Proteins and Metabolites Targeted by Covalent Probes DANA-FARBER CANCER INSTITUTE, INC. 2021-03-11 US claimed
EP-3545314-A1 REAGENTS AND METHODS FOR ANALYSIS OF PROTEINS AND METABOLITES TARGETED BY COVALENT PROBES Dana-Farber Cancer Institute, Inc. (US) 2019-10-02 EP claimed
WO-2018098473-A1 REAGENTS AND METHODS FOR ANALYSIS OF PROTEINS AND METABOLITES TARGETED BY COVALENT PROBES DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-05-31 WO claimed
US-11789025-B2 Reagents and methods for analysis of proteins and metabolites targeted by covalent probes DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-10-17 US disclosed
US-11789025-B2 Reagents and methods for analysis of proteins and metabolites targeted by covalent probes DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-10-17 US disclosed
US-11789025-B2 Reagents and methods for analysis of proteins and metabolites targeted by covalent probes DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-10-17 US disclosed
US-10969394-B2 Reagents and methods for analysis of proteins and metabolites targeted by covalent probes DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-04-06 US disclosed
US-10969394-B2 Reagents and methods for analysis of proteins and metabolites targeted by covalent probes DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-04-06 US disclosed
US-20210072254-A1 Reagents and Methods for Analysis of Proteins and Metabolites Targeted by Covalent Probes DANA-FARBER CANCER INSTITUTE, INC. 2021-03-11 US disclosed
US-20210072254-A1 Reagents and Methods for Analysis of Proteins and Metabolites Targeted by Covalent Probes DANA-FARBER CANCER INSTITUTE, INC. 2021-03-11 US disclosed
US-20190346454-A1 Reagents and Methods for Analysis of Proteins and Metabolites Targeted by Covalent Probes DANA-FARBER CANCER INSTITUTE, INC. 2019-11-14 US disclosed
US-20190346454-A1 Reagents and Methods for Analysis of Proteins and Metabolites Targeted by Covalent Probes DANA-FARBER CANCER INSTITUTE, INC. 2019-11-14 US disclosed
EP-3545314-A1 REAGENTS AND METHODS FOR ANALYSIS OF PROTEINS AND METABOLITES TARGETED BY COVALENT PROBES Dana-Farber Cancer Institute, Inc. (US) 2019-10-02 EP disclosed
WO-2018098473-A1 REAGENTS AND METHODS FOR ANALYSIS OF PROTEINS AND METABOLITES TARGETED BY COVALENT PROBES DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-05-31 WO 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-10969394-B2 Reagents and methods for analysis of proteins and metabolites targeted by covalent probes PTMS, SRMS, HSP90B1 GRIN2B 4179/4885SMN1; SMN2 3987/4885CNR2 4366/4885
US-11789025-B2 Reagents and methods for analysis of proteins and metabolites targeted by covalent probes PTMS, SRMS, HSP90B1 GRIN2B 4179/4885SMN1; SMN2 3987/4885CNR2 4366/4885
US-20210072254-A1 Reagents and Methods for Analysis of Proteins and Metabolites Targeted by Covalent Probes PTMS, SRMS, HSP90B1 GRIN2B 4179/4885SMN1; SMN2 3987/4885CNR2 4366/4885
US-20190346454-A1 Reagents and Methods for Analysis of Proteins and Metabolites Targeted by Covalent Probes PTMS, SRMS, HSP90B1 GRIN2B 4179/4885SMN1; SMN2 3987/4885CNR2 4366/4885

“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.