SCHEMBL377873

SCHEMBL377873

COc1cc(N2CCC(N)CC2)ccc1F

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 1/20 0.45
DPP4 P27487 7/20 0.45
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
SUV39H2 Q9H5I1 2/20 0.44
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 1/20 0.42
KDR P35968 1/20 0.41
KDM1A O60341 1/20 0.41
PDE7A Q13946 3/20 0.41
PDE7B Q9NP56 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL377788 0.88 KDM1A (0.48) ACVR1DPP4SUV39H2KDM1A
SCHEMBL30815824 0.88 KDM1A (0.48) ACVR1DPP4SUV39H2KDM1A
SCHEMBL31058211 0.86 DRD2 (0.45) DPP4DRD2DRD4DRD3LMNA
SCHEMBL1911855 0.83 DPP4 (0.53) ACVR1DPP4SUV39H2LMNAALDH1A1
SCHEMBL517608 0.83 GAK (0.49) DPP4SUV39H2LMNAALDH1A1PDE7A
SCHEMBL30407935 0.82 ALDH1A1 (0.55) DRD2DRD4DRD3LMNAPOLB
SCHEMBL1704676 0.80 MEN1 (0.43) DRD2LMNAALDH1A1KDM1APDE7A
SCHEMBL13896505 0.80 NOTUM (0.53) LMNAPOLBKDR
SCHEMBL24783778 0.80 SIRT6 (0.58) ACVR1DRD2DRD4DRD3LMNA
SCHEMBL12139624 0.79 DPP4 (0.43) DPP4SUV39H2LMNAALDH1A1PDE7A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130317041-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-11-28 US disclosed
US-8536182-B2 Benzylpiperazine derivatives and their medical use GLAXO GROUP LIMITED (GB) 2013-09-17 US disclosed
EP-1907374-B1 Benzylpiperazine derivatives useful for the treatment of gastrointestinal disorders GLAXO GROUP LTD (GB) 2012-08-22 EP disclosed
US-8236953-B2 Process for preparing piper azine derivatives GLAXO GROUP LIMITED (GB) 2012-08-07 US disclosed
EP-2441763-A1 Benzylpiperazine derivatives useful for the treatment of gastrointestinal disorders Glaxo Group Limited (GB) 2012-04-18 EP disclosed
EP-2029538-B1 BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2012-01-25 EP disclosed
US-20110275815-A1 BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS SEAL JONATHAN THOMAS 2011-11-10 US disclosed
US-8012981-B2 Benzylpiperazine derivatives as motilin receptor agonists GLAXO GROUP LIMITED (GB) 2011-09-06 US disclosed
US-20090131453-A1 BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-05-21 US disclosed
US-20090054456-A1 BENZYLPIPERAZINE DERIVATIVES AND THEIR MEDICAL USE GLAXO GROUP LIMITED (GB) 2009-02-26 US disclosed
EP-1907374-A2 COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-04-09 EP disclosed
WO-2007012479-A2 BENZYLPIPERAZINE DERIVATES AND THEIR MEDICAL USE GLAXO GROUP LIMITED (GB) 2007-02-01 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-20090054456-A1 BENZYLPIPERAZINE DERIVATIVES AND THEIR MEDICAL USE GPR68, GPR88, GPR55 ACVR1 1581/4885DPP4 978/4885DRD2 571/4885
US-20090131453-A1 BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS GPR68, GPR52, GPR88 ACVR1 1168/4885DPP4 647/4885DRD2 554/4885
US-20130317041-A1 COMPOUNDS GPR68, GPR88, GPR35 ACVR1 1697/4885DPP4 800/4885DRD2 536/4885
US-20110275815-A1 BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS GPR68, GPR52, GPR88 ACVR1 1168/4885DPP4 647/4885DRD2 554/4885

“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.