SCHEMBL20063500

SCHEMBL20063500

CC(C)O[C@H]1CC[C@H](c2cccc(C(F)(F)F)c2)C[C@@H]1N(C)C

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 11/20 0.47
HTR2C P28335 4/20 0.45
DRD2 P14416 1/20 0.42
HTR2A P28223 2/20 0.41
HTR2B P41595 2/20 0.41
HRH3 Q9Y5N1 2/20 0.41

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
SCHEMBL23639055 0.91 SCN9A (0.43) SCN9AHTR2CDRD2
SCHEMBL23638878 0.90 DRD2 (0.43) SCN9AHTR2CDRD2HTR2AHTR2B
SCHEMBL23638875 0.89 DRD2 (0.46) SCN9AHTR2CDRD2HTR2AHTR2B
SCHEMBL23638881 0.85 SCN9A (0.35) SCN9A
SCHEMBL23638879 0.84 SCN9A (0.40) SCN9A
SCHEMBL23638947 0.84 SCN9A (0.48) SCN9A
SCHEMBL23638885 0.83 SCN9A (0.42) SCN9ADRD2
SCHEMBL23638884 0.83 SCN9A (0.34) SCN9A
SCHEMBL23639104 0.81 SLC6A2 (0.40) SCN9AHTR2CHTR2AHTR2BHRH3
SCHEMBL23638876 0.81 SCN9A (0.47) SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210214336-A1 PYRIDINE-SULFONAMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS GENENTECH, INC. (US) 2021-07-15 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
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 (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-20200115354-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NPY5R, REN, F12 SCN9A 1478/4885HTR2C 1243/4885DRD2 1844/4885
US-10457654-B2 Therapeutic compounds and methods of use thereof NPY5R, REN, F12 SCN9A 1478/4885HTR2C 1243/4885DRD2 1844/4885
US-20210214336-A1 PYRIDINE-SULFONAMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS SCN1B, CACNA1A, SCN1A SCN9A 34/4885HTR2C 1563/4885DRD2 1985/4885
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NPY5R, REN, F12 SCN9A 1501/4885HTR2C 1184/4885DRD2 1936/4885

“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.