SCHEMBL19945231

SCHEMBL19945231

CC(=O)N(C)CCN(C)C(=O)Cl

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
TSHR P16473 1/20 0.43
CHRM1 P11229 3/20 0.39
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ACHE P22303 1/20 0.33
CHRM2 P08172 2/20 0.31
CHRM4 P08173 2/20 0.31
CHRM5 P08912 2/20 0.31
CHRM3 P20309 2/20 0.31

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
SCHEMBL7942491 0.86 CHRM1 (0.48) ALDH1A1TSHRCHRM1MTNR1AMTNR1B
SCHEMBL10978747 0.81 ALDH1A1 (0.45) ALDH1A1TSHRCHRM1MAPTCHRM2
SCHEMBL19924618 0.79 ALDH1A1 (0.43) ALDH1A1TSHR
SCHEMBL179676 0.78 CHRM1 (0.48) ALDH1A1TSHRCHRM1MTNR1AMTNR1B
SCHEMBL7111335 0.76
SCHEMBL5483857 0.76
SCHEMBL11150573 0.76
SCHEMBL19334823 0.76
SCHEMBL20756157 0.76 CHRM1 (0.41) ALDH1A1CHRM1MTNR1AMTNR1BPOLB
SCHEMBL8854824 0.75 CHRM1 (0.44) ALDH1A1CHRM1MTNR1AMTNR1BPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111801100-B 7-substituted sulfoimidoyl purinone compounds and derivatives for the treatment and prevention of liver cancer 豪夫迈·罗氏有限公司 2023-10-24 CN disclosed
CN-109641904-B 7-substituted sulfoxy-purinone compounds for the treatment and prevention of viral infections 豪夫迈·罗氏有限公司 2022-01-28 CN disclosed
EP-3865482-A1 7-SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2021-08-18 EP disclosed
EP-3504210-B1 7-SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2021-02-24 EP disclosed
US-20200385387-A1 7-SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS FOR THE TREATMENT OF VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2020-12-10 US disclosed
CN-111801100-A 7-substituted sulfoxy-purinone compounds and derivatives for the treatment and prevention of liver cancer 豪夫迈·罗氏有限公司 2020-10-20 CN disclosed
US-20200268762-A1 7-SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS AND DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF LIVER CANCER HOFFMANN-LA ROCHE INC. (US) 2020-08-27 US disclosed
US-10752630-B2 7-substituted sulfonimidoylpurinone compounds for the treatment of virus infection HOFMANN LA-ROCHE INC. (US) 2020-08-25 US disclosed
US-10752630-B2 7-substituted sulfonimidoylpurinone compounds for the treatment of virus infection HOFMANN LA-ROCHE INC. (US) 2020-08-25 US disclosed
US-20190256515-A1 NOVEL SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS AND DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2019-08-22 US disclosed
US-10233184-B2 7-substituted sulfonimidoylpurinone compounds and derivatives for the treatment and prophylaxis of virus infection HOFFMANN-LA ROCHE INC. (US) 2019-03-19 US disclosed
US-20180072730-A1 NOVEL 7-SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS AND DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2018-03-15 US disclosed
US-20180072730-A1 NOVEL 7-SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS AND DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2018-03-15 US disclosed
WO-2018041763-A1 7-SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2018-03-08 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 (6 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-10752630-B2 7-substituted sulfonimidoylpurinone compounds for the treatment of virus infection FURIN, UGT1A7, SARS1 ALDH1A1 229/4885TSHR 4339/4885CHRM1 4278/4885
US-20190256515-A1 NOVEL SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS AND DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION TPMT, SULT1E1, SULT1A1 ALDH1A1 252/4885TSHR 4350/4885CHRM1 2942/4885
US-20200385387-A1 7-SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS FOR THE TREATMENT OF VIRUS INFECTION FURIN, UGT1A7, SARS1 ALDH1A1 229/4885TSHR 4339/4885CHRM1 4278/4885
US-20200268762-A1 7-SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS AND DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF LIVER CANCER SULT1E1, SULT1A1, UGT2B7 ALDH1A1 40/4885TSHR 4071/4885CHRM1 3568/4885
US-20180072730-A1 NOVEL 7-SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS AND DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION TPMT, SULT1E1, UGT1A7 ALDH1A1 235/4885TSHR 4523/4885CHRM1 3795/4885
US-10233184-B2 7-substituted sulfonimidoylpurinone compounds and derivatives for the treatment and prophylaxis of virus infection TPMT, UGT1A7, UGT2B7 ALDH1A1 132/4885TSHR 4538/4885CHRM1 3664/4885

“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.