SCHEMBL17428435

SCHEMBL17428435

O=C(O)[C@@H]1CCCN1C(=O)c1cc(C2CC2)c(CN2[C@@H]3CC[C@H]2C[C@@H](Oc2cc(Cl)cc(OC(F)(F)F)c2)C3)cc1F

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 7/20 0.55
▸ OPRK1 P41145 6/20 0.35
▸ KCNH2 Q12809 6/20 0.35
▸ OPRM1 P35372 4/20 0.35
▸ SCN7A Q01118 1/20 0.33
▸ SCN5A Q14524 1/20 0.33
▸ OPRD1 P41143 1/20 0.32
▸ GYS1 P13807 2/20 0.32
▸ LOXL2 Q9Y4K0 1/20 0.31
▸ FFAR4 Q5NUL3 1/20 0.31

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
Trifluoroacetic Acid SCHEMBL19064795 0.98 SCN9A (0.53) SCN9AOPRK1KCNH2OPRM1SCN7A
SCHEMBL19099974 0.91 SCN9A (0.52) SCN9AOPRK1KCNH2OPRM1SCN7A
SCHEMBL17428448 0.91 SCN9A (0.52) SCN9AOPRK1KCNH2OPRM1SCN7A
SCHEMBL19099973 0.91 SCN9A (0.52) SCN9AOPRK1KCNH2OPRM1SCN7A
SCHEMBL17428303 0.90 SCN9A (0.48) SCN9AKCNH2SCN7ASCN5A
SCHEMBL17423024 0.90 SCN9A (0.48) SCN9AKCNH2SCN7ASCN5A
Trifluoroacetic Acid SCHEMBL19064935 0.88 SCN9A (0.47) SCN9AKCNH2SCN7ASCN5A
Trifluoroacetic Acid SCHEMBL17423118 0.88 SCN9A (0.47) SCN9AKCNH2SCN7ASCN5A
SCHEMBL23159312 0.87 SCN9A (0.63) SCN9AOPRK1KCNH2OPRM1SCN7A
SCHEMBL17069400 0.87 SCN9A (0.63) SCN9AOPRK1KCNH2OPRM1SCN7A

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 9 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-10005724-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2018-06-26 — — US disclosed
US-10005724-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2018-06-26 — — US disclosed
US-20170190662-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-07-06 — — US disclosed
US-20170190662-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-07-06 — — US 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-20170190662-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF RDX, C1R, MTX1 SCN9A 2337/4885OPRK1 893/4885KCNH2 1406/4885
US-11149002-B2 Therapeutic compounds and methods of use thereof RDX, C1R, MTX1 SCN9A 2337/4885OPRK1 893/4885KCNH2 1406/4885
US-20190031607-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF RDX, C1R, MTX1 SCN9A 2337/4885OPRK1 893/4885KCNH2 1406/4885
US-10005724-B2 Therapeutic compounds and methods of use thereof RDX, C1R, MTX1 SCN9A 2337/4885OPRK1 893/4885KCNH2 1406/4885
US-20210078947-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF RDX, C1R, MTX1 SCN9A 2337/4885OPRK1 893/4885KCNH2 1406/4885

“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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