SCHEMBL3581219

SCHEMBL3581219

c1cc2c(s1)CCCNC2

nearest known ligand 0.76

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PNMT P11086 8/20 0.76
CD44 P16070 1/20 0.40
MAOB P27338 1/20 0.40
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
ASIC3 Q9UHC3 1/20 0.34
RYR2 Q92736 1/20 0.34
HTR2C P28335 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
Hydrochloric Acid SCHEMBL11178008 0.98 PNMT (0.73) PNMTCD44MAOBADRA2AADRA2B
SCHEMBL23142283 0.94 PNMT (0.73) PNMTCD44MAOBADRA2AADRA2B
SCHEMBL18723860 0.92 PNMT (0.70) PNMTCD44MAOBADRA2AADRA2B
SCHEMBL13441 0.86
SCHEMBL6511764 0.85 PNMT (0.61) PNMTCD44MAOBHTR2C
Hydrochloric Acid SCHEMBL366688 0.84 PNMT (0.95) PNMTCD44MAOBADRA2AADRA2B
Bromide SCHEMBL28557676 0.84 PNMT (0.95) PNMTCD44MAOBADRA2AADRA2B
Hydrochloric Acid SCHEMBL5317536 0.83 PNMT (0.91) PNMTCD44MAOBADRA2AADRA2B
Phosphoric Acid SCHEMBL28555163 0.76 PNMT (0.78) PNMTCD44MAOBADRA2AADRA2B
SCHEMBL11088 0.76

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1839659-A2 Chemicals compounds GLAXO GROUP LIMITED (GB) 2007-10-03 EP claimed
EP-1395606-B1 PYRROLIDIN-2-ONE DERIVATIVES AS INHIBITORS OF FACTOR XA GLAXO GROUP LTD (GB) 2007-05-02 EP claimed
US-20060160886-A1 Synergistic mixtures of 6-Chloro-N-{1-[1-methyl-2-oxo-2-piperidin-1-ylethyl]-2-oxopyrrolidin-3-yl}-1-benzothiophene-2-sulfonamide and 4-chloro-N-{1-[1-methyl-2-oxo-2-piperidin-1-ylethyl]-2-oxopyrrolidin-3-yl}-1-benzothiophene-2-sulfonamide; improved oral bioavailability and pharmacokinetics GLAXO GROUP LIMITED (GB) 2006-07-20 US claimed
US-20040152697-A1 Pyrrolidin-2-one derivatives as inhibitors of factor xa GLAXO GROUP LIMITED (GB) 2004-08-05 US claimed
EP-1395606-A1 PYRROLIDIN-2-ONE DERIVATIVES AS INHIBITORS OF FACTOR XA GLAXO GROUP LIMITED (GB) 2004-03-10 EP claimed
WO-2002100886-A1 PYRROLIDIN-2-ONE DERIVATIVES AS INHIBITORS OF FACTOR XA GLAXO GROUP LIMITED (GB) 2002-12-19 WO claimed
US-12157726-B2 P-phenylenediamine derivative as potassium channel regulator and preparation method and medical application thereof SHANGHAI ZHIMENG BIOPHARMA INC. 2024-12-03 US disclosed
EP-3798220-B1 P-PHENYLENEDIAMINE DERIVATIVE AS POTASSIUM CHANNEL REGULATOR AND PREPARATION METHOD AND MEDICAL APPLICATION THEREOF SHANGHAI ZHIMENG BIOPHARMA INC (CN) 2023-08-23 EP disclosed
EP-3798220-B1 P-PHENYLENEDIAMINE DERIVATIVE AS POTASSIUM CHANNEL REGULATOR AND PREPARATION METHOD AND MEDICAL APPLICATION THEREOF SHANGHAI ZHIMENG BIOPHARMA INC (CN) 2023-08-23 EP disclosed
US-20220227721-A1 P-PHENYLENEDIAMINE DERIVATIVE AS POTASSIUM CHANNEL REGULATOR AND PREPARATION METHOD AND MEDICAL APPLICATION THEREOF SHANGHAI ZHIMENG BIOPHARMA INC. (CN) 2022-07-21 US disclosed
US-11365181-B2 P-phenylenediamine derivative as potassium channel regulator and preparation method and medical application thereof SHANGHAI ZHIMENG BIOPHARMA INC. (CN) 2022-06-21 US disclosed
US-11365181-B2 P-phenylenediamine derivative as potassium channel regulator and preparation method and medical application thereof SHANGHAI ZHIMENG BIOPHARMA INC. (CN) 2022-06-21 US disclosed
CN-110511220-B P-diaminobenzene derivatives as potassium channel modulators, process for their preparation and their use in medicine 上海挚盟医药科技有限公司 2022-04-01 CN disclosed
US-7084139-B2 Pyrrolidin-2-one derivatives as inhibitors of factor Xa SMITHKLINE BEECHAM CORPORATION (US) 2006-08-01 US disclosed
US-20060160885-A1 drugs such as 6 -Chloro-N-{(3S)-1-[(1S)-1-methyl-2-oxo-2-piperidin-1-ylethyl]-2-oxopyrrolidin-3-yl}naphthalene-2-sulfonamide, used as antithrombotic agents GLAXO GROUP LIMITED (GB) 2006-07-20 US disclosed
US-20060160886-A1 Synergistic mixtures of 6-Chloro-N-{1-[1-methyl-2-oxo-2-piperidin-1-ylethyl]-2-oxopyrrolidin-3-yl}-1-benzothiophene-2-sulfonamide and 4-chloro-N-{1-[1-methyl-2-oxo-2-piperidin-1-ylethyl]-2-oxopyrrolidin-3-yl}-1-benzothiophene-2-sulfonamide; improved oral bioavailability and pharmacokinetics GLAXO GROUP LIMITED (GB) 2006-07-20 US disclosed
US-20040152697-A1 Pyrrolidin-2-one derivatives as inhibitors of factor xa GLAXO GROUP LIMITED (GB) 2004-08-05 US disclosed
EP-1395606-A1 PYRROLIDIN-2-ONE DERIVATIVES AS INHIBITORS OF FACTOR XA GLAXO GROUP LIMITED (GB) 2004-03-10 EP disclosed
WO-2003016316-A1 DIAZACYCLOALKANES AS OXYTOCIN AGONISTS FERRING B.V. (NL) 2003-02-27 WO disclosed
WO-2002100886-A1 PYRROLIDIN-2-ONE DERIVATIVES AS INHIBITORS OF FACTOR XA GLAXO GROUP LIMITED (GB) 2002-12-19 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-12157726-B2 P-phenylenediamine derivative as potassium channel regulator and preparation method and medical application thereof KCNJ2, KCNN2, KCNH2 PNMT 149/4885CD44 3506/4885MAOB 1320/4885
US-20220227721-A1 P-PHENYLENEDIAMINE DERIVATIVE AS POTASSIUM CHANNEL REGULATOR AND PREPARATION METHOD AND MEDICAL APPLICATION THEREOF KCNJ2, KCNN2, KCNH2 PNMT 149/4885CD44 3506/4885MAOB 1320/4885
US-20060160885-A1 drugs such as 6 -Chloro-N-{(3S)-1-[(1S)-1-methyl-2-oxo-2-piperidin-1-ylethyl]-2-oxopyrrolidin-3-yl}naphthalene-2-sulfonamide, used as antithrombotic agents SERPINC1, F11, TFPI PNMT 3426/4885CD44 3860/4885MAOB 1531/4885
US-11365181-B2 P-phenylenediamine derivative as potassium channel regulator and preparation method and medical application thereof KCNJ2, KCNN2, KCNH2 PNMT 146/4885CD44 3559/4885MAOB 1329/4885
US-20040152697-A1 Pyrrolidin-2-one derivatives as inhibitors of factor xa TFPI, SERPINC1, TFPI2 PNMT 4404/4885CD44 4687/4885MAOB 269/4885
US-20060160886-A1 Synergistic mixtures of 6-Chloro-N-{1-[1-methyl-2-oxo-2-piperidin-1-ylethyl]-2-oxopyrrolidin-3-yl}-1-benzothiophene-2-sulfonamide and 4-chloro-N-{1-[1-methyl-2-oxo-2-piperidin-1-ylethyl]-2-oxopyrrolidin-3-yl}-1-benzothiophene-2-sulfonamide; improved oral bioavailability and pharmacokinetics SULT1E1, SULT1A1, SULT2A1 PNMT 3616/4885CD44 4859/4885MAOB 932/4885

“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.