SCHEMBL16770969

SCHEMBL16770969

CC(C)(C)OC(=O)c1cc(Cl)c(O[C@@H]2CCCN(Cc3ccccc3)C2)cc1F

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.53
SCN8A Q9UQD0 5/20 0.47
BCHE P06276 3/20 0.46
MAOB P27338 2/20 0.45
DRD4 P21917 3/20 0.45
DRD2 P14416 2/20 0.45
DRD3 P35462 2/20 0.45
SCN1A P35498 4/20 0.43
ROCK1 Q13464 3/20 0.43
ROCK2 O75116 2/20 0.43
CCR2 P41597 1/20 0.43
SIGMAR1 Q99720 1/20 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
SCHEMBL17061709 1.00 SCN9A (0.53) SCN9ASCN8ABCHEMAOBDRD4
SCHEMBL16771075 0.90 SCN9A (0.67) SCN9ASCN8ABCHEMAOBDRD4
SCHEMBL17062131 0.90 SCN9A (0.67) SCN9ASCN8ABCHEMAOBDRD4
SCHEMBL28338331 0.88 SCN9A (0.59) SCN9ASCN8ABCHEMAOBDRD4
SCHEMBL28338330 0.88 SCN9A (0.59) SCN9ASCN8ABCHEMAOBDRD4
SCHEMBL16771101 0.84 SCN9A (0.40) SCN9ASCN8ADRD4DRD2DRD3
SCHEMBL17061834 0.84 SCN9A (0.40) SCN9ASCN8ADRD4DRD2DRD3
SCHEMBL18263275 0.83 SCN9A (0.45) SCN9A
SCHEMBL28336575 0.83 SCN9A (0.45) SCN9A
SCHEMBL19430891 0.82 SCN9A (0.55) 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210093618-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-04-01 US disclosed
US-20210093618-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-04-01 US disclosed
US-20200108054-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2020-04-09 US disclosed
CN-105793238-B Substituted benzamides and methods of use thereof 基因泰克公司 2019-12-24 CN disclosed
US-9694002-B2 Substituted benzamides and methods of use thereof GENENTECH, INC. (US) 2017-07-04 US disclosed
US-9694002-B2 Substituted benzamides and methods of use thereof GENENTECH, INC. (US) 2017-07-04 US disclosed
US-9694002-B2 Substituted benzamides and methods of use thereof GENENTECH, INC. (US) 2017-07-04 US disclosed
US-20170087136-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-03-30 US disclosed
US-20170087136-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-03-30 US disclosed
US-20170087136-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-03-30 US disclosed
US-9546164-B2 Substituted benzamides and methods of use thereof GENENTECH, INC. (US) 2017-01-17 US disclosed
US-9546164-B2 Substituted benzamides and methods of use thereof GENENTECH, INC. (US) 2017-01-17 US disclosed
US-9546164-B2 Substituted benzamides and methods of use thereof GENENTECH, INC. (US) 2017-01-17 US disclosed
US-20150252038-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF XENON PHARMACEUTICALS INC. (CA) 2015-09-10 US disclosed
US-20150252038-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF XENON PHARMACEUTICALS INC. (CA) 2015-09-10 US disclosed
US-20150252038-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF XENON PHARMACEUTICALS INC. (CA) 2015-09-10 US disclosed
WO-2015078374-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2015-06-04 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-20210093618-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF BRIX1, RDX, SULT2A1 SCN9A 1605/4885SCN8A 1119/4885BCHE 423/4885
US-20150252038-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF BRIX1, RDX, RRM1 SCN9A 1669/4885SCN8A 1243/4885BCHE 722/4885
US-20170087136-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF C1R, SRR, PNISR SCN9A 505/4885SCN8A 672/4885BCHE 244/4885
US-20200108054-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF BRIX1, RDX, SULT2A1 SCN9A 1605/4885SCN8A 1119/4885BCHE 423/4885

“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.