SCHEMBL1318627

SCHEMBL1318627

CN(C)CCNc1ccc(Cl)nn1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.49
MAPT P10636 3/20 0.47
ALDH1A1 P00352 3/20 0.46
GAA P10253 1/20 0.46
HRH3 Q9Y5N1 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.41
DNM2 P50570 4/20 0.40
PIM1 P11309 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
BPTF Q12830 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL23176313 0.83 MAPT (0.50) MAPTALDH1A1GAANPSR1
SCHEMBL10356814 0.80 CYP2C19 (0.50) CYP2C19HRH3L3MBTL1DNM2HRH4
SCHEMBL27401621 0.79 MAPT (0.50) MAPTALDH1A1GAAPIM1NPSR1
SCHEMBL1110422 0.79 CYP2C19 (0.49) CYP2C19GAAHRH3DNM2HRH4
SCHEMBL25646850 0.78 MAPT (0.53) MAPTALDH1A1GAANPSR1
SCHEMBL3641438 0.76 MAPT (0.48) MAPTALDH1A1GAAL3MBTL1NPSR1
SCHEMBL1852259 0.76 IL1B (0.53) CYP2C19MAPTALDH1A1GAANPSR1
SCHEMBL6702206 0.76 MAPT (0.55) MAPTALDH1A1GAAPIM1NPSR1
SCHEMBL12895544 0.75 MAPT (0.54) MAPTALDH1A1GAANPSR1
SCHEMBL11446598 0.74 CYP2C19 (0.56) CYP2C19MAPTALDH1A1HRH3L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121600-B1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2012-07-18 EP disclosed
US-20110269761-A1 ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-03 US disclosed
US-20110269761-A1 ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-03 US disclosed
US-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 US disclosed
US-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 US disclosed
US-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 US disclosed
WO-2009127723-A1 NEW ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-22 WO disclosed
WO-2008099000-A2 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-21 WO disclosed
US-4215121-A Pyrazine substituted ureas MERCK & CO., INC. (US) 1980-07-29 US disclosed
US-4144338-A N-pyrimidinyl-N-dialkylaminoalkyl ureas MERCK & CO., INC. (US) 1979-03-13 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 (2 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-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS PYGL, PYGM, G6PC1 CYP2C19 700/4885MAPT 947/4885ALDH1A1 1848/4885
US-20110269761-A1 ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS SULT2A1, UGT1A1, SLC5A1 CYP2C19 272/4885MAPT 4383/4885ALDH1A1 49/4885

“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.