SCHEMBL1877585

SCHEMBL1877585

COc1ccc2c(c1)C(=O)C(C(C)=O)CC2

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.52
CYP19A1 P11511 1/20 0.52
MTNR1A P48039 5/20 0.48
MTNR1B P49286 5/20 0.48
METAP1 P53582 1/20 0.45
NQO2 P16083 3/20 0.44
CYP26A1 O43174 1/20 0.43
CYP24A1 Q07973 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42

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
SCHEMBL31366772 1.00 ACHE (0.52) ACHECYP19A1MTNR1AMTNR1BMETAP1
SCHEMBL7979383 0.89 CYP19A1 (0.55) ACHECYP19A1MTNR1AMTNR1BMETAP1
SCHEMBL345475 0.87 ACHE (0.51) ACHECYP19A1MTNR1AMTNR1BMETAP1
SCHEMBL14469511 0.86 MAPK1 (0.53) ACHECYP19A1MTNR1AMTNR1BMETAP1
SCHEMBL13254661 0.86 MAPK1 (0.53) ACHECYP19A1MTNR1AMTNR1BMETAP1
SCHEMBL7771760 0.85 ACHE (0.63) ACHEMTNR1AMTNR1BMETAP1KDM4E
SCHEMBL31366725 0.84 CYP19A1 (0.51) ACHECYP19A1CYP26A1CYP24A1KDM4E
SCHEMBL10333984 0.84 CYP19A1 (0.48) ACHECYP19A1MTNR1AMTNR1BMETAP1
SCHEMBL8435265 0.83 ALDH1A1 (0.56) ACHECYP19A1MTNR1AMTNR1BMETAP1
SCHEMBL31650300 0.81 CYP19A1 (0.48) ACHECYP19A1MTNR1AMTNR1BMETAP1

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 19 patents. 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-7897634-B2 Pyrazoles for the treatment of obesity and other CNS disorders ATHERSYS, INC. (US) 2011-03-01 US disclosed
US-7897634-B2 Pyrazoles for the treatment of obesity and other CNS disorders ATHERSYS, INC. (US) 2011-03-01 US disclosed
US-7897634-B2 Pyrazoles for the treatment of obesity and other CNS disorders ATHERSYS, INC. (US) 2011-03-01 US disclosed
US-20100121055-A1 PROCESSES FOR PREPARING (R)-2-METHYLPYRROLIDINE AND (S)-2-METHYLPYRROLIDINE AND TARTRATE SALTS THEREOF CEPHALON, INC. (US) 2010-05-13 US disclosed
US-20100121055-A1 PROCESSES FOR PREPARING (R)-2-METHYLPYRROLIDINE AND (S)-2-METHYLPYRROLIDINE AND TARTRATE SALTS THEREOF CEPHALON, INC. (US) 2010-05-13 US disclosed
WO-2008137087-A1 PROCESSES FOR PREPARING (R)-2-METHYLPYRROLIDINE AND (S)-2-METHYLPYRROLIDINE AND TARTRATE SALTS THEREOF CEPHALON, INC. (US) 2008-11-13 WO 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

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 ACHE 58/4885CYP19A1 3902/4885MTNR1A 2460/4885
US-20100121055-A1 PROCESSES FOR PREPARING (R)-2-METHYLPYRROLIDINE AND (S)-2-METHYLPYRROLIDINE AND TARTRATE SALTS THEREOF TPMT, SPR, QDPR ACHE 58/4885CYP19A1 3902/4885MTNR1A 2460/4885
US-20110112088-A1 PYRAZOLES FOR THE TREATMENT OF OBESITY AND OTHER CNS DISORDERS GPR119, HCRTR2, HCRTR1 ACHE 376/4885CYP19A1 162/4885MTNR1A 358/4885
US-20070197526-A1 Pyrazoles for the treatment of obesity and other CNS disorders HRH3, HRH4, HRH2 ACHE 373/4885CYP19A1 1667/4885MTNR1A 255/4885

“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.