SCHEMBL17062131

SCHEMBL17062131

CC(C)(C)OC(=O)c1cc(C2CC2)c(OC2CCCN(Cc3ccccc3)C2)cc1F

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 7/20 0.67
SCN7A Q01118 3/20 0.47
BCHE P06276 3/20 0.45
MAOB P27338 2/20 0.43
ROCK1 Q13464 3/20 0.42
ROCK2 O75116 2/20 0.42
CCR2 P41597 1/20 0.42
SCN1A P35498 1/20 0.41
SCN8A Q9UQD0 1/20 0.41
DRD4 P21917 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
SCN5A Q14524 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
SCHEMBL16771075 1.00 SCN9A (0.67) SCN9ASCN7ABCHEMAOBROCK1
SCHEMBL17061709 0.90 SCN9A (0.53) SCN9ABCHEMAOBROCK1ROCK2
SCHEMBL16770969 0.90 SCN9A (0.53) SCN9ABCHEMAOBROCK1ROCK2
SCHEMBL19430886 0.89 SCN9A (0.55) SCN9ASCN7A
SCHEMBL19430891 0.89 SCN9A (0.55) SCN9ASCN7A
SCHEMBL28338323 0.88 SCN9A (0.74) SCN9ASCN7ABCHEMAOBROCK1
SCHEMBL28338325 0.88 SCN9A (0.74) SCN9ASCN7ABCHEMAOBROCK1
SCHEMBL21825365 0.86 SCN9A (0.56) SCN9ASCN7ASCN1ASCN8ASCN5A
SCHEMBL17062219 0.86 SCN9A (0.50) SCN9ASCN7ASCN5A
SCHEMBL16770985 0.86 SCN9A (0.50) SCN9ASCN7ASCN5A

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 7 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-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-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-20150252038-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF XENON PHARMACEUTICALS INC. (CA) 2015-09-10 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-20210093618-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF BRIX1, RDX, SULT2A1 SCN9A 1605/4885SCN7A 1270/4885BCHE 423/4885
US-20150252038-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF BRIX1, RDX, RRM1 SCN9A 1669/4885SCN7A 1496/4885BCHE 722/4885
US-20170087136-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF C1R, SRR, PNISR SCN9A 505/4885SCN7A 258/4885BCHE 244/4885
US-20200108054-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF BRIX1, RDX, SULT2A1 SCN9A 1605/4885SCN7A 1270/4885BCHE 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.