SCHEMBL1624875

SCHEMBL1624875

CC(C)(C)OC(=O)C(N)C(N)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.48
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 4/20 0.42
AAK1 Q2M2I8 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
MAPT P10636 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
AOC3 Q16853 1/20 0.39
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
RECQL P46063 1/20 0.38
LTA4H P09960 1/20 0.38
SLC7A5 Q01650 1/20 0.38

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
SCHEMBL6896070 0.86 DPP4 (0.43) DPP4ATML3MBTL1KMT2AAAK1
SCHEMBL15630763 0.86 DPP4 (0.43) DPP4ATML3MBTL1KMT2AAAK1
SCHEMBL10699210 0.85 DPP4 (0.42) DPP4ATML3MBTL1KMT2AAAK1
SCHEMBL27665873 0.85 DPP4 (0.42) DPP4ATML3MBTL1KMT2AAAK1
SCHEMBL4937584 0.85 DPP4 (0.42) DPP4ATML3MBTL1KMT2AAAK1
SCHEMBL27564999 0.85 DPP4 (0.42) DPP4ATML3MBTL1KMT2AAAK1
SCHEMBL28837744 0.83 DPP4 (0.41) DPP4ATML3MBTL1KMT2AAAK1
SCHEMBL28824632 0.83 DPP4 (0.41) DPP4ATML3MBTL1KMT2AAAK1
SCHEMBL28261977 0.83 ATM (0.44) DPP4ATML3MBTL1KMT2AAAK1
SCHEMBL1919826 0.83 CYP2D6 (0.50) DPP4ATML3MBTL1KMT2AAAK1

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
US-5244905-A Gastric antisecretory, antipsychotic, appetite suppressants WARNER-LAMBERT COMPANY (US) 1993-09-14 US disclosed
WO-1992004348-A1 N-SUBSTITUTED CYCLOALKYL AND POLYCYCLOAKYL POLYHYDRO-Β-CARBOLINE-PHENYLALANINE-AND PHENETHYLAMINE DERIVATIVES WARNER-LAMBERT COMPANY (US) 1992-03-19 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 (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 DPP4 97/4885ATM 1418/4885L3MBTL1 259/4885
US-20070155790-A1 Meta-benzamidine derivatives as serine protease inhibitors PEPD, SERPINE1, HPN DPP4 60/4885ATM 868/4885L3MBTL1 225/4885
US-20040143018-A1 Meta-benzamidine derivatives as serine protease inhibitors SERPINE1, PEPD, PRSS1 DPP4 97/4885ATM 1418/4885L3MBTL1 259/4885

“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.