SCHEMBL16770962

SCHEMBL16770962

C[C@H]1CC[C@@H](Oc2cc(F)c(C(=O)OC(C)(C)C)cc2C2CC2)CN1C(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 6/20 0.44
▸ PDK1 Q15118 1/20 0.42
▸ PDK2 Q15119 1/20 0.42
▸ PDK3 Q15120 1/20 0.42
▸ PDK4 Q16654 1/20 0.42
▸ HCRTR2 O43614 5/20 0.39
▸ HCRTR1 O43613 4/20 0.39
▸ PDE4B Q07343 2/20 0.39
▸ SCN7A Q01118 2/20 0.38
▸ PTGDR2 Q9Y5Y4 1/20 0.37
▸ GPBAR1 Q8TDU6 1/20 0.36

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
SCHEMBL16770859 1.00 SCN9A (0.44) SCN9APDK1PDK2PDK3PDK4
SCHEMBL16770624 0.89 PDK1 (0.42) SCN9APDK1PDK2PDK3PDK4
SCHEMBL16770707 0.89 PDK1 (0.42) SCN9APDK1PDK2PDK3PDK4
SCHEMBL16771113 0.87 SCN7A (0.48) SCN9APDK1PDK2PDK3PDK4
SCHEMBL17062097 0.85 SCN9A (0.43) SCN9AHCRTR2HCRTR1
SCHEMBL30261612 0.79 SCN7A (0.47) SCN9ASCN7APTGDR2
SCHEMBL16770923 0.78 PDK1 (0.41) SCN9APDK1PDK2PDK3PDK4
SCHEMBL28336033 0.78 PDK1 (0.49) PDK1PDK2PDK3PDK4PTGDR2
SCHEMBL16771194 0.78 PDK1 (0.49) PDK1PDK2PDK3PDK4PTGDR2
SCHEMBL16771229 0.78 PDK1 (0.49) PDK1PDK2PDK3PDK4PTGDR2

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 1605/4885PDK1 3749/4885PDK2 3200/4885
US-20150252038-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF BRIX1, RDX, RRM1 SCN9A 1669/4885PDK1 3792/4885PDK2 3045/4885
US-20170087136-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF C1R, SRR, PNISR SCN9A 505/4885PDK1 4211/4885PDK2 4019/4885

“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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