SCHEMBL3329355

SCHEMBL3329355

N#Cc1cccnc1N1CCN(C(=O)COc2ccccc2)CC1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.76
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
TP53 P04637 1/20 0.58
USP2 O75604 2/20 0.55
LMNA P02545 1/20 0.55
POLB P06746 1/20 0.55
ME2 P23368 1/20 0.54
ME1 P48163 1/20 0.54
ME3 Q16798 1/20 0.54
HDAC2 Q92769 1/20 0.53
PARP1 P09874 1/20 0.53
PARP2 Q9UGN5 1/20 0.53
PARP3 Q9Y6F1 1/20 0.53
DRD2 P14416 1/20 0.53
HTR2A P28223 1/20 0.53
ALDH1A1 P00352 3/20 0.53
MAPT P10636 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
GAA P10253 1/20 0.52

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
SCHEMBL1900313 0.86 KDM4E (0.78) KDM4EMEN1KMT2ATP53HDAC2
SCHEMBL3334649 0.85 KDM4E (0.62) KDM4EMEN1KMT2ATP53POLB
SCHEMBL3334279 0.84 KDM4E (0.63) KDM4EMEN1KMT2AUSP2HDAC2
SCHEMBL3332938 0.82 KDM4E (0.61) KDM4EMEN1KMT2AUSP2ME2
SCHEMBL3334496 0.82 KDM4E (0.69) KDM4EMEN1KMT2AHDAC2PARP1
SCHEMBL8167178 0.82 KDM4E (0.69) KDM4EMEN1KMT2AHDAC2PARP1
SCHEMBL8235906 0.82 KDM4E (0.69) KDM4EMEN1KMT2ATP53HDAC2
SCHEMBL3334438 0.82 KDM4E (0.69) KDM4EMEN1KMT2AHDAC2DRD2
SCHEMBL5901321 0.81 KDM4E (0.68) KDM4EMEN1KMT2AHDAC2DRD2
SCHEMBL3335980 0.81 KDM4E (0.59) KDM4EMEN1KMT2AUSP2HDAC2

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 9 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
EP-2134687-A1 PIPERAZINE AND PIPERIDINE MGLUR5 POTENTIATORS AstraZeneca AB (SE) 2009-12-23 EP claimed
WO-2008112440-A1 PIPERAZINE AND PIPERIDINE MGLUR5 POTENTIATORS ASTRAZENECA AB (SE) 2008-09-18 WO 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
EP-2134687-A1 PIPERAZINE AND PIPERIDINE MGLUR5 POTENTIATORS AstraZeneca AB (SE) 2009-12-23 EP disclosed
WO-2008112440-A1 PIPERAZINE AND PIPERIDINE MGLUR5 POTENTIATORS ASTRAZENECA AB (SE) 2008-09-18 WO 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 3322/4885MEN1 3484/4885KMT2A 1931/4885

“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.