SCHEMBL1873573

SCHEMBL1873573

CCOC(=O)c1cc(C)nn1-c1ccc(OC)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.61
KMT2A Q03164 3/20 0.58
USP2 O75604 1/20 0.58
HTT P42858 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.56
FAAH O00519 2/20 0.54
LMNA P02545 2/20 0.54
POLB P06746 2/20 0.52
APEX1 P27695 1/20 0.52
RECQL P46063 1/20 0.52
CTDSP1 Q9GZU7 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
TP53 P04637 1/20 0.51
ALDH1A1 P00352 2/20 0.50
NPSR1 Q6W5P4 1/20 0.49
MAPT P10636 3/20 0.49
KDM4E B2RXH2 1/20 0.48
APP P05067 1/20 0.48
ALOX15 P16050 1/20 0.48

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
SCHEMBL6765894 0.90 SMN1; SMN2 (0.55) PDE4DKMT2AUSP2HTTSMN1; SMN2
SCHEMBL1877271 0.86 SMN1; SMN2 (0.52) PDE4DKMT2AUSP2HTTSMN1; SMN2
SCHEMBL5344577 0.85 MAPT (0.53) KMT2ASMN1; SMN2LMNAPOLBL3MBTL1
SCHEMBL8511661 0.85 KMT2A (0.60) KMT2ASMN1; SMN2FAAHLMNAPOLB
SCHEMBL7373266 0.85 SMN1; SMN2 (0.51) PDE4DKMT2AUSP2HTTSMN1; SMN2
SCHEMBL14217732 0.85 PDE4D (0.60) PDE4DKMT2AUSP2HTTSMN1; SMN2
SCHEMBL6176728 0.85 PDE4D (0.56) PDE4DKMT2AUSP2HTTSMN1; SMN2
SCHEMBL6422295 0.85 KMT2A (0.65) PDE4DKMT2ASMN1; SMN2LMNAPOLB
SCHEMBL20028530 0.84 KMT2A (0.50) PDE4DKMT2AUSP2HTTSMN1; SMN2
SCHEMBL6494601 0.84 PDE4D (0.55) PDE4DKMT2AUSP2HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150011759-A1 PROCESSES FOR PREPARING (R)-2-METHYLPYRROLIDINE AND (S)-2-METHYLPYRROLIDINE AND TARTRATE SALTS THEREOF CEPHALON, INC. (US) 2015-01-08 US disclosed
US-20150011759-A1 PROCESSES FOR PREPARING (R)-2-METHYLPYRROLIDINE AND (S)-2-METHYLPYRROLIDINE AND TARTRATE SALTS THEREOF CEPHALON, INC. (US) 2015-01-08 US disclosed
EP-1988777-B1 PYRAZOLES FOR THE TREATMENT OF OBESITY AND OTHER CNS DISORDERS ATHERSYS INC (US) 2011-09-21 EP disclosed
EP-1988777-B1 PYRAZOLES FOR THE TREATMENT OF OBESITY AND OTHER CNS DISORDERS ATHERSYS INC (US) 2011-09-21 EP disclosed
US-7981896-B2 Pyrazoles for the treatment of obesity and other CNS disorders ATHERSYS, INC. (US) 2011-07-19 US disclosed
US-7981896-B2 Pyrazoles for the treatment of obesity and other CNS disorders ATHERSYS, INC. (US) 2011-07-19 US disclosed
US-7981896-B2 Pyrazoles for the treatment of obesity and other CNS disorders ATHERSYS, INC. (US) 2011-07-19 US disclosed
US-20110112088-A1 PYRAZOLES FOR THE TREATMENT OF OBESITY AND OTHER CNS DISORDERS BENNANI YOUSSEF L 2011-05-12 US disclosed
US-20110112088-A1 PYRAZOLES FOR THE TREATMENT OF OBESITY AND OTHER CNS DISORDERS BENNANI YOUSSEF L 2011-05-12 US disclosed
US-20110112088-A1 PYRAZOLES FOR THE TREATMENT OF OBESITY AND OTHER CNS DISORDERS BENNANI YOUSSEF L 2011-05-12 US disclosed
US-20070197526-A1 Pyrazoles for the treatment of obesity and other CNS disorders ATHERSYS, INC. 2007-08-23 US disclosed
US-20070197526-A1 Pyrazoles for the treatment of obesity and other CNS disorders ATHERSYS, INC. 2007-08-23 US disclosed
US-20070197526-A1 Pyrazoles for the treatment of obesity and other CNS disorders ATHERSYS, INC. 2007-08-23 US disclosed
EP-0991625-B1 INHIBITORS OF FACTOR XA WITH A NEUTRAL P1 SPECIFICITY GROUP BRISTOL MYERS SQUIBB PHARMA CO (US) 2005-06-01 EP disclosed
US-6602895-B2 Inhibitors of factor Xa with a neutral P1 specificity group BRISTOL-MYERS SQUIBB COMPANY 2003-08-05 US disclosed
US-20030092740-A1 Inhibitors of factor Xa with a neutral P1 specificity group GALEMMO ROBERT A (US) 2003-05-15 US disclosed
US-6403620-B1 ANTICOAGULANT AGENTS FOR TREATMENT AND PREVENTION OF THROMBOEMBOLIC DISORDERS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-06-11 US disclosed
EP-0991625-A2 INHIBITORS OF FACTOR XA WITH A NEUTRAL P1 SPECIFICITY GROUP THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 2000-04-12 EP disclosed
US-5998424-A ANTICOAGULANTS DUPONT PHARMACEUTICALS COMPANY (US) 1999-12-07 US disclosed
WO-1998057937-A2 INHIBITORS OF FACTOR XA WITH A NEUTRAL P1 SPECIFICITY GROUP THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-12-23 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 (4 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-20150011759-A1 PROCESSES FOR PREPARING (R)-2-METHYLPYRROLIDINE AND (S)-2-METHYLPYRROLIDINE AND TARTRATE SALTS THEREOF TPMT, SPR, QDPR PDE4D 1884/4885KMT2A 133/4885USP2 2317/4885
US-20030092740-A1 Inhibitors of factor Xa with a neutral P1 specificity group F12, F11, SERPINC1 PDE4D 3388/4885KMT2A 4193/4885USP2 4467/4885
US-20110112088-A1 PYRAZOLES FOR THE TREATMENT OF OBESITY AND OTHER CNS DISORDERS GPR119, HCRTR2, HCRTR1 PDE4D 910/4885KMT2A 1027/4885USP2 3596/4885
US-20070197526-A1 Pyrazoles for the treatment of obesity and other CNS disorders HRH3, HRH4, HRH2 PDE4D 1603/4885KMT2A 375/4885USP2 3727/4885

“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.