SCHEMBL16771091

SCHEMBL16771091

NC(=O)c1cc(C2CC2)c(CN2CCC(Oc3cc(Cl)cc(OC(F)(F)F)c3)CC2)cc1F

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 12/20 0.56
▸ SCN7A Q01118 3/20 0.41
▸ SCN5A Q14524 3/20 0.41
▸ EPHX2 P34913 1/20 0.39
▸ OPRK1 P41145 1/20 0.38
▸ SCN1A P35498 1/20 0.37
▸ SCN4A P35499 1/20 0.37
▸ SCN2A Q99250 1/20 0.37
▸ SCN3A Q9NY46 1/20 0.37
▸ SCN8A Q9UQD0 1/20 0.37
▸ ABL1 P00519 1/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ CHRM5 P08912 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ CHRM3 P20309 1/20 0.36
▸ ADRB2 P07550 1/20 0.36
▸ HRH1 P35367 1/20 0.35
▸ CCR3 P51677 1/20 0.35
▸ KCNH2 Q12809 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
SCHEMBL16771206 0.92 SCN9A (0.53) SCN9ASCN7ASCN5AEPHX2SCN1A
Hydrochloric Acid SCHEMBL17061970 0.91 SCN9A (0.52) SCN9ASCN7ASCN5AEPHX2SCN1A
SCHEMBL21075343 0.89 SCN9A (0.52) SCN9ASCN7ASCN5AEPHX2ADRB2
SCHEMBL16771247 0.89 SCN9A (0.50) SCN9ASCN7ASCN5AEPHX2SCN1A
SCHEMBL17069325 0.88 SCN9A (0.62) SCN9AOPRK1KCNH2
SCHEMBL16771185 0.86 SCN9A (0.58) SCN9ASCN7ASCN5AEPHX2OPRK1
SCHEMBL17062112 0.86 SCN9A (0.61) SCN9ASCN7ASCN5ASCN1ASCN4A
SCHEMBL17062137 0.85 SCN9A (0.69) SCN9ASCN7ASCN5A
SCHEMBL17423024 0.84 SCN9A (0.48) SCN9ASCN7ASCN5AEPHX2SCN1A
SCHEMBL17428303 0.84 SCN9A (0.48) SCN9ASCN7ASCN5AEPHX2SCN1A

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 10 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-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-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
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 (3 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 1270/4885SCN5A 628/4885
US-20150252038-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF BRIX1, RDX, RRM1 SCN9A 1669/4885SCN7A 1496/4885SCN5A 640/4885
US-20170087136-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF C1R, SRR, PNISR SCN9A 505/4885SCN7A 258/4885SCN5A 631/4885

“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.

Send feedback