SCHEMBL1622969

SCHEMBL1622969

O=C(O)CN(C(=O)OCc1cccc2c1Cc1ccccc1-2)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 1/20 0.40
▸ PTGER4 P35408 3/20 0.35
▸ PTGER3 P43115 3/20 0.35
▸ PTGER1 P34995 2/20 0.35
▸ PTGER2 P43116 2/20 0.35
▸ MMP12 P39900 1/20 0.35
▸ MMP13 P45452 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ CHEK1 O14757 1/20 0.34
▸ CD274 Q9NZQ7 3/20 0.34
▸ ENPP2 Q13822 1/20 0.34
▸ SLC6A9 P48067 4/20 0.33
▸ LTB4R2 Q9NPC1 2/20 0.33
▸ HTR7 P34969 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ DRD2 P14416 1/20 0.32
▸ DRD4 P21917 1/20 0.32
▸ DRD3 P35462 1/20 0.32

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
SCHEMBL23326948 0.82 DRD2 (0.37) PNMTNPC1RAB9ADRD2
SCHEMBL31634803 0.81 PNMT (0.45) PNMTNPC1RAB9ACD274SLC6A9
SCHEMBL7641055 0.80 PNMT (0.41) PNMTPTGER4PTGER3PTGER1PTGER2
SCHEMBL7641059 0.78 PNMT (0.42) PNMTPTGER4PTGER3PTGER1PTGER2
Hydrochloric Acid SCHEMBL8854105 0.77 PNMT (0.46) PNMTNPC1RAB9ACD274HTR7
SCHEMBL1830400 0.76 PNMT (0.55) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL7699409 0.75 PNMT (0.54) PNMTPTGER4PTGER3PTGER1PTGER2
SCHEMBL1830397 0.75 PNMT (0.57) PNMTPTGER4PTGER3PTGER1PTGER2
SCHEMBL6849876 0.74 PNMT (0.50) PNMTPTGER4PTGER3PTGER1PTGER2
SCHEMBL7699410 0.74 PNMT (0.50) PNMTPTGER4PTGER3PTGER1PTGER2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7928137-B2 Meta-benzamidine derivatives as serine protease inhibitors TULARIK LIMITED (GB) 2011-04-19 — — US disclosed
US-20070155790-A1 Meta-benzamidine derivatives as serine protease inhibitors LIEBESCHUETZ JOHN W 2007-07-05 — — US disclosed
US-7220781-B2 Meta-benzamidine derivatives as serine protease inhibitors TULARIK LIMITED (GB) 2007-05-22 — — US disclosed
EP-1009758-B1 META-BENZAMIDINE DERIVATIVES AS SERINE PROTEASE INHIBITORS TULARIK LTD (GB) 2005-06-01 — — EP disclosed
US-20040143018-A1 Meta-benzamidine derivatives as serine protease inhibitors LIEBESCHUETZ JOHN WALTER (GB) 2004-07-22 — — US disclosed
US-6740682-B2 TREATMENT OF THROMBOTIC DISEASES, ASTHMA, EMPHYSEMA, CIRRHOSIS, ARTHRITIS, CARCINOMA, MELANOMA, RESTENOIS, ATHEROMA, TRAUMA, SHOCK AND REPERFUSION INJURY. TULARIK LIMITED (GB) 2004-05-25 — — US disclosed
US-20020055522-A1 Meta-benzamidine derivatives as serine protease inhibitors TULARIK LIMITED (GB) 2002-05-09 — — US disclosed
EP-1009758-A1 META-BENZAMIDINE DERIVATIVES AS SERINE PROTEASE INHIBITORS Protherics Molecular Design Limited (GB) 2000-06-21 — — EP disclosed
WO-1999011658-A1 META-BENZAMIDINE DERIVATIVES AS SERIN PROTEASE INHIBITORS PROTEUS MOLECULAR DESIGN LTD. (GB) 1999-03-11 — — 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-20020055522-A1 Meta-benzamidine derivatives as serine protease inhibitors SERPINE1, PEPD, PRSS1 PNMT 1311/4885PTGER4 2796/4885PTGER3 1893/4885
US-20070155790-A1 Meta-benzamidine derivatives as serine protease inhibitors PEPD, SERPINE1, HPN PNMT 1023/4885PTGER4 1807/4885PTGER3 1615/4885
US-20040143018-A1 Meta-benzamidine derivatives as serine protease inhibitors SERPINE1, PEPD, PRSS1 PNMT 1311/4885PTGER4 2796/4885PTGER3 1893/4885

“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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