SCHEMBL17061977

SCHEMBL17061977

O=C(OC(=O)C(F)(F)F)c1cc(C2CC2)c(CN2CCC(OCc3ccc(F)cc3Cl)CC2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 3/20 0.41
▸ GRM2 Q14416 1/20 0.38
▸ SCN9A Q15858 8/20 0.38
▸ SCN1A P35498 1/20 0.38
▸ SCN4A P35499 1/20 0.38
▸ SCN7A Q01118 1/20 0.38
▸ SCN5A Q14524 1/20 0.38
▸ SCN2A Q99250 1/20 0.38
▸ SCN3A Q9NY46 1/20 0.38
▸ SCN8A Q9UQD0 1/20 0.38
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ DRD4 P21917 4/20 0.35
▸ SIGMAR1 Q99720 3/20 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
Trifluoroacetic Acid SCHEMBL17061974 0.88 MGLL (0.41) MGLLGRM2SCN9ASCN1ASCN4A
SCHEMBL16759102 0.88 MGLL (0.41) MGLLGRM2SCN9ASCN1ASCN4A
SCHEMBL28335968 0.88 SCN9A (0.40) GRM2SCN9ASCN1ASCN4ASCN7A
SCHEMBL16771021 0.87 MGLL (0.44) MGLLSCN9AMEN1KMT2AALDH1A1
SCHEMBL28335994 0.86 SCN9A (0.46) MGLLSCN9ASCN1ASCN4ASCN7A
Trifluoroacetic Acid SCHEMBL28338988 0.82 SCN9A (0.54) SCN9ASCN1ASCN4ASCN7ASCN5A
Trifluoroacetic Acid SCHEMBL28336564 0.82 SCN9A (0.55) SCN9ASCN1ASCN4ASCN7ASCN5A
SCHEMBL28338328 0.82 HRH1 (0.49) SCN9ASCN1ASCN4ASCN7ASCN5A
SCHEMBL28336566 0.81 SCN9A (0.43) SCN9ASCN1ASCN4ASCN7ASCN5A
SCHEMBL16770627 0.81 SCN9A (0.59) SCN9ASCN1ASCN4ASCN7ASCN5A

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 MGLL 2591/4885GRM2 3856/4885SCN9A 1605/4885
US-20150252038-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF BRIX1, RDX, RRM1 MGLL 2751/4885GRM2 3958/4885SCN9A 1669/4885
US-20170087136-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF C1R, SRR, PNISR MGLL 3093/4885GRM2 3537/4885SCN9A 505/4885
US-20200108054-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF BRIX1, RDX, SULT2A1 MGLL 2591/4885GRM2 3856/4885SCN9A 1605/4885

“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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