SCHEMBL3332898

SCHEMBL3332898

N#Cc1cccnc1N1CCN(C(=O)Cc2ccc(OCc3ccccn3)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.56
HPGD P15428 2/20 0.51
HSD17B10 Q99714 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 4/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
RECQL P46063 1/20 0.44
HDAC2 Q92769 1/20 0.44
PANK3 Q9H999 1/20 0.44
DRD2 P14416 3/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
HTR2A P28223 2/20 0.43

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
SCHEMBL3332938 0.90 KDM4E (0.61) KDM4EHPGDHSD17B10NPSR1L3MBTL1
SCHEMBL3331612 0.88 KDM4E (0.57) KDM4EHPGDHSD17B10NPSR1L3MBTL1
SCHEMBL3334723 0.86 KDM4E (0.60) KDM4EHPGDHSD17B10NPSR1L3MBTL1
SCHEMBL3334279 0.86 KDM4E (0.63) KDM4EHPGDHSD17B10NPSR1L3MBTL1
SCHEMBL3334378 0.86 KDM4E (0.56) KDM4EHPGDHSD17B10NPSR1L3MBTL1
SCHEMBL3335980 0.85 KDM4E (0.59) KDM4EHPGDHSD17B10NPSR1L3MBTL1
SCHEMBL3329378 0.85 KDM4E (0.63) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL3334079 0.85 KDM4E (0.58) KDM4EHPGDHSD17B10NPSR1L3MBTL1
SCHEMBL3338157 0.85 KDM4E (0.58) KDM4EHPGDHSD17B10NPSR1L3MBTL1
SCHEMBL3334764 0.84 KDM4E (0.54) KDM4EHPGDHSD17B10NPSR1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144710-A1 Piperazine and Piperidine MGLUR5 Potentiators ASTRAZENECA AB (SE) 2010-06-10 US claimed
CN-101679261-A Piperazine and piperidine mglur5 potentiators ASTRAZENECA AB 2010-03-24 CN claimed
US-20100144710-A1 Piperazine and Piperidine MGLUR5 Potentiators ASTRAZENECA AB (SE) 2010-06-10 US disclosed
US-20100144710-A1 Piperazine and Piperidine MGLUR5 Potentiators ASTRAZENECA AB (SE) 2010-06-10 US disclosed
US-20100144710-A1 Piperazine and Piperidine MGLUR5 Potentiators ASTRAZENECA AB (SE) 2010-06-10 US disclosed
CN-101679261-A Piperazine and piperidine mglur5 potentiators ASTRAZENECA AB 2010-03-24 CN disclosed
WO-2008112440-A1 PIPERAZINE AND PIPERIDINE MGLUR5 POTENTIATORS ASTRAZENECA AB (SE) 2008-09-18 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-20100144710-A1 Piperazine and Piperidine MGLUR5 Potentiators GRM5, GRM1, GRM2 KDM4E 3322/4885HPGD 2221/4885HSD17B10 3662/4885

“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.