SCHEMBL3859652

SCHEMBL3859652

N#Cc1ccc(N2CCC(C(=O)Cl)CC2)nc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 5/20 0.54
GPR119 Q8TDV5 1/20 0.53
PANK3 Q9H999 7/20 0.53
DPP4 P27487 3/20 0.51
JAK2 O60674 1/20 0.48
JAK1 P23458 1/20 0.48
JAK3 P52333 1/20 0.48
KCNH2 Q12809 1/20 0.48
TACR3 P29371 1/20 0.47
DPP8 Q6V1X1 1/20 0.47
DPP9 Q86TI2 1/20 0.47
SMO Q99835 1/20 0.47
PDK1 Q15118 1/20 0.46
PDK2 Q15119 1/20 0.46

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
SCHEMBL326846 0.88 CHRM4 (0.55) CHRM4GPR119PANK3DPP4JAK2
SCHEMBL12639817 0.86 GPR119 (0.56) CHRM4GPR119PANK3DPP4JAK2
SCHEMBL2226561 0.83 NOTUM (0.56) CHRM4GPR119PANK3DPP4JAK2
SCHEMBL12099334 0.81 GPR119 (0.55) CHRM4GPR119PANK3DPP4JAK2
SCHEMBL3857665 0.80 USP30 (0.60) CHRM4GPR119PANK3DPP4TACR3
SCHEMBL26292225 0.79 PANK3 (0.59) CHRM4GPR119PANK3
SCHEMBL16718831 0.79 JAK2 (0.54) CHRM4GPR119PANK3DPP4JAK2
SCHEMBL13622620 0.79 KCNH2 (0.55) CHRM4GPR119PANK3DPP4JAK2
SCHEMBL31289277 0.79 GPR119 (0.56) CHRM4GPR119PANK3DPP4JAK2
SCHEMBL2225455 0.79 PDK1 (0.54) CHRM4GPR119PANK3DPP4JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592347-B2 Piperazine derivates and their use for the treatment of neurological and psychiatric diseases GLAXO GROUP LIMITED (GB) 2009-09-22 US disclosed
EP-1615909-B1 PIPERAZINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISEASES GLAXO GROUP LTD (GB) 2008-07-23 EP disclosed
US-20070054917-A1 Piperazine derivates and their use for the treatment of neurological and psychiatric diseases GLAXO GROUP LIMITED (GB) 2007-03-08 US disclosed
EP-1615909-A1 PIPERAZINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISEASES GLAXO GROUP LIMITED (GB) 2006-01-18 EP disclosed
WO-2004101546-A1 PIPERAZINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISEASES GLAXO GROUP LIMITED (GB) 2004-11-25 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 (1 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-20070054917-A1 Piperazine derivates and their use for the treatment of neurological and psychiatric diseases GRIN2A, GRIK5, GRIN2C CHRM4 1153/4885GPR119 1784/4885PANK3 1553/4885

“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.