SCHEMBL694233

SCHEMBL694233

O=C(c1nccs1)N1CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 1/20 0.48
SMO Q99835 1/20 0.47
ALDH1A1 P00352 1/20 0.46
SIGMAR1 Q99720 1/20 0.45
RXFP1 Q9HBX9 1/20 0.41
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
MGLL Q99685 4/20 0.40
ABL1 P00519 1/20 0.40
BCR P11274 1/20 0.40
HPGD P15428 1/20 0.39
HSP90AA1 P07900 1/20 0.39
PBK Q96KB5 1/20 0.38
SLC6A7 Q99884 1/20 0.38
HTR2C P28335 1/20 0.38
RIPK1 Q13546 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
Trifluoroacetic Acid SCHEMBL698941 0.90 RBP4 (0.50) RBP4SMOALDH1A1SIGMAR1MGLL
SCHEMBL5130274 0.84 RBP4 (0.51) RBP4SMOALDH1A1MGLLABL1
SCHEMBL970704 0.83 RBP4 (0.50) RBP4SMOALDH1A1MGLLABL1
SCHEMBL16862022 0.81 SMO (0.54) RBP4SMOALDH1A1MGLLABL1
SCHEMBL17761042 0.81 RBP4 (0.49) RBP4SMOALDH1A1MGLLABL1
SCHEMBL23213437 0.80 HPGD (0.49) RBP4SMOALDH1A1HPGDHTR2C
SCHEMBL28740942 0.80 RBP4 (0.48) RBP4SMOALDH1A1MGLLABL1
SCHEMBL693819 0.79 MGLL (0.50) RBP4SMOMGLL
SCHEMBL2721136 0.79 RBP4 (0.51) RBP4SMOALDH1A1MGLL
Hydrochloric Acid SCHEMBL14813360 0.78 MGLL (0.49) RBP4SMOMGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3087067-B1 4-(PIPERRAZIN-1-YL)-PYRROLIDIN-2-ONE COMPOUNDS AS MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS TAKEDA PHARMACEUTICALS CO (JP) 2018-10-24 EP disclosed
CN-107714702-A A kind of Ivabradine and milrinone composition and its application in pharmacy 泰州中国医药城中医药研究院 2018-02-23 CN disclosed
CN-107648224-A A kind for the treatment of and prevention heart failure drugs and its application in pharmacy 泰州中国医药城中医药研究院 2018-02-02 CN disclosed
CN-107550915-A A kind of Ivabradine and rolipram composition and its application in pharmacy 泰州中国医药城中医药研究院 2018-01-09 CN disclosed
CN-106727487-A Application of the Atisine chloride Atractydin in pharmacy 泰州中国医药城中医药研究院 2017-05-31 CN disclosed
US-9624170-B2 4-(piperrazin-1-yl)-pyrrolidin-2-one compounds as monoacylglycerol lipase (MAGL) inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-04-18 US disclosed
US-20160318864-A1 4-(PIPERRAZIN-1-YL)-PYRROLIDIN-2-ONE COMPOUNDS AS MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-11-03 US disclosed
US-8962607-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2015-02-24 US disclosed
US-8962607-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2015-02-24 US disclosed
US-8962607-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2015-02-24 US disclosed
WO-2010124082-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed
WO-2010124082-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed
WO-2010124086-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed
WO-2010124086-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed
WO-2010124116-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed
WO-2010124116-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed
WO-2010124108-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed
US-7494992-B2 Antiparasitic terpene alkaloids PFIZER INC. (US) 2009-02-24 US disclosed
CN-101361740-A Pharmacy use of 2,5- bis (hydroxymethyl)-3,6-dimethyl pyrazine and derivates thereof UNIV NANJING TRAD CHINESE MED (CN) 2009-02-11 CN disclosed
US-20070185101-A1 Antiparasitic terpene alkaloids PFIZER PRODUCTS INC 2007-08-09 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-20160318864-A1 4-(PIPERRAZIN-1-YL)-PYRROLIDIN-2-ONE COMPOUNDS AS MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS MGLL, PNLIP, LYPLAL1 RBP4 4209/4885SMO 3266/4885ALDH1A1 470/4885
US-20070185101-A1 Antiparasitic terpene alkaloids CYP51A1, DHPS, CYP8B1 RBP4 4788/4885SMO 3886/4885ALDH1A1 441/4885

“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.