SCHEMBL20063738

SCHEMBL20063738

CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1N1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.55
GAA P10253 1/20 0.43
EPHX1 P07099 2/20 0.43
SIGMAR1 Q99720 2/20 0.42
CTSK P43235 2/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
BTK Q06187 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
MCOLN2 Q8IZK6 1/20 0.40
MCOLN1 Q9GZU1 1/20 0.40

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
SCHEMBL421147 0.98 CHRNA7 (0.53) CHRNA7GAAEPHX1SIGMAR1CTSK
SCHEMBL10153346 0.98 CHRNA7 (0.53) CHRNA7GAAEPHX1SIGMAR1CTSK
SCHEMBL421148 0.98 CHRNA7 (0.53) CHRNA7GAAEPHX1SIGMAR1CTSK
SCHEMBL31021493 0.97 CHRNA7 (0.52) CHRNA7GAAEPHX1SIGMAR1CTSK
SCHEMBL424987 0.95 CHRNA7 (0.50) CHRNA7SIGMAR1CTSKCHRNB4CHRNA3
SCHEMBL10189601 0.95 CHRNA7 (0.50) CHRNA7SIGMAR1CTSKCHRNB4CHRNA3
SCHEMBL424988 0.95 CHRNA7 (0.50) CHRNA7SIGMAR1CTSKCHRNB4CHRNA3
SCHEMBL14376994 0.90 SIGMAR1 (0.47) CHRNA7GAAEPHX1SIGMAR1CTSK
SCHEMBL8893923 0.83 BTK (0.44) CHRNA7GAACTSKBTKCA1
SCHEMBL12439638 0.81

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-20200115354-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2020-04-16 US disclosed
US-20200115354-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2020-04-16 US disclosed
US-10457654-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2019-10-29 US disclosed
WO-2018072602-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-04-26 WO disclosed
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-04-19 US disclosed
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-04-19 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 (3 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-20200115354-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NPY5R, REN, F12 CHRNA7 2850/4885GAA 2055/4885EPHX1 262/4885
US-10457654-B2 Therapeutic compounds and methods of use thereof NPY5R, REN, F12 CHRNA7 2850/4885GAA 2055/4885EPHX1 262/4885
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NPY5R, REN, F12 CHRNA7 2916/4885GAA 2044/4885EPHX1 277/4885

“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.