SCHEMBL21294793

SCHEMBL21294793

CC(C)(C)[Si](C)(C)O[C@H]1CC[C@H](c2cccc(OC(F)(F)F)c2)C[C@@H]1N

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 5/20 0.40
MGLL Q99685 2/20 0.35
FFAR1 O14842 1/20 0.34
HCRTR2 O43614 3/20 0.34
ADCYAP1R1 P41586 1/20 0.34
CETP P11597 3/20 0.33
TRPV1 Q8NER1 1/20 0.33
DHODH Q02127 1/20 0.33
NOTUM Q6P988 1/20 0.33
KCNH2 Q12809 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.33

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
SCHEMBL21307058 1.00 SCN9A (0.40) SCN9AMGLLFFAR1HCRTR2ADCYAP1R1
SCHEMBL21294928 0.84 HTR2C (0.43) SCN9A
SCHEMBL21294734 0.84 HTR2C (0.43) SCN9A
SCHEMBL21306739 0.84 HTR2C (0.43) SCN9A
SCHEMBL23140838 0.77 NOTUM (0.40) MGLLFFAR1HCRTR2ADCYAP1R1CETP
Hydrochloric Acid SCHEMBL23140831 0.76 NOTUM (0.39) MGLLFFAR1HCRTR2ADCYAP1R1CETP
SCHEMBL15937573 0.73 HTR2C (0.42) MGLLHCRTR2ADCYAP1R1DHODHNOTUM
SCHEMBL14846072 0.73 HTR2C (0.42) MGLLHCRTR2ADCYAP1R1DHODHNOTUM
SCHEMBL21311899 0.71 PIM1 (0.38) FFAR1HCRTR2ADCYAP1R1
SCHEMBL23639040 0.71 TAS1R3 (0.44) SCN9AFFAR1HCRTR2DHODHNOTUM

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220081423-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2022-03-17 US disclosed
US-11028075-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2021-06-08 US disclosed
CN-112041313-A Pyridine-sulfonamide compounds and their use against pain and related conditions 基因泰克公司 2020-12-04 CN disclosed
US-20190263786-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-08-29 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 (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-20190263786-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF ASAH2, ACER2, PCSK9 SCN9A 2136/4885MGLL 2438/4885FFAR1 3674/4885
US-20220081423-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF TRPV1, HCN4, TRPA1 SCN9A 90/4885MGLL 3322/4885FFAR1 3846/4885
US-11028075-B2 Therapeutic compounds and methods of use thereof TRPV1, HCN4, TRPA1 SCN9A 90/4885MGLL 3322/4885FFAR1 3846/4885

“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.