SCHEMBL17423136

SCHEMBL17423136

COC(=O)C1CCCN1C(=O)c1cc(C2CC2)c(COc2cc(Cl)cc(Cl)c2)s1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
CNR2 P34972 3/20 0.41
SCN9A Q15858 3/20 0.39
LOX P28300 1/20 0.39
NPC1 O15118 1/20 0.38
SLC8A1 P32418 1/20 0.37
FKBP1A P62942 1/20 0.36
POLB P06746 1/20 0.36
PDK2 Q15119 1/20 0.35
SCN1A P35498 1/20 0.35
SCN5A Q14524 1/20 0.35
SCN2A Q99250 1/20 0.35

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
SCHEMBL17423137 1.00 ALDH1A1 (0.43) ALDH1A1CNR2SCN9ALOXNPC1
SCHEMBL17423077 0.89 ALDH1A1 (0.42) ALDH1A1SCN9A
SCHEMBL17423109 0.89 ALDH1A1 (0.42) ALDH1A1SCN9A
SCHEMBL21075446 0.82 SCN9A (0.43) ALDH1A1SCN9ANPC1POLBSCN1A
SCHEMBL17423020 0.81 SCN9A (0.45) ALDH1A1SCN9ASCN1ASCN5ASCN2A
SCHEMBL17423116 0.77 SCN9A (0.47) SCN9ASCN1ASCN5ASCN2A
SCHEMBL17423100 0.76 SCN9A (0.38) SCN9ASCN1ASCN5ASCN2A
SCHEMBL19064838 0.76 SCN9A (0.38) CNR2SCN9ASCN1ASCN5ASCN2A
SCHEMBL19064837 0.76 SCN9A (0.38) CNR2SCN9ASCN1ASCN5ASCN2A
SCHEMBL19064836 0.73 SCN9A (0.37) SCN9ASCN1ASCN5ASCN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11149002-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2021-10-19 US disclosed
US-20210078947-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-03-18 US disclosed
EP-3166939-B1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH INC (US) 2019-06-05 EP disclosed
US-20190031607-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-01-31 US disclosed
US-10125098-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2018-11-13 US disclosed
US-20180265465-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-09-20 US disclosed
EP-3166939-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF Genentech, Inc. (US) 2017-05-17 EP disclosed
WO-2016007534-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-01-14 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 (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-11149002-B2 Therapeutic compounds and methods of use thereof RDX, C1R, MTX1 ALDH1A1 1155/4885CNR2 857/4885SCN9A 2337/4885
US-20190031607-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF RDX, C1R, MTX1 ALDH1A1 1155/4885CNR2 857/4885SCN9A 2337/4885
US-20180265465-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF RDX, C1R, MTX1 ALDH1A1 1155/4885CNR2 857/4885SCN9A 2337/4885
US-10125098-B2 Therapeutic compounds and methods of use thereof RDX, C1R, MTX1 ALDH1A1 1155/4885CNR2 857/4885SCN9A 2337/4885
US-20210078947-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF RDX, C1R, MTX1 ALDH1A1 1155/4885CNR2 857/4885SCN9A 2337/4885

“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.