SCHEMBL1900313

SCHEMBL1900313

N#Cc1cccnc1N1CCN(C(=O)COCc2ccccc2)CC1

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.78
GRM5 P41594 8/20 0.59
TP53 P04637 1/20 0.53
HDAC2 Q92769 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
TNKS O95271 1/20 0.50
PARP1 P09874 1/20 0.50
PARP6 Q2NL67 1/20 0.50
TNKS2 Q9H2K2 1/20 0.50
PARP2 Q9UGN5 1/20 0.50
PARP3 Q9Y6F1 1/20 0.50

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
SCHEMBL12670077 0.89 KDM4E (0.62) KDM4EGRM5
SCHEMBL3329355 0.86 KDM4E (0.76) KDM4ETP53HDAC2MEN1KMT2A
SCHEMBL3332938 0.84 KDM4E (0.61) KDM4EHDAC2MEN1KMT2AALDH1A1
SCHEMBL1905550 0.84 GRM5 (0.62) KDM4EGRM5PARP1
SCHEMBL3334496 0.79 KDM4E (0.69) KDM4EHDAC2MEN1KMT2AALDH1A1
SCHEMBL8235906 0.79 KDM4E (0.69) KDM4ETP53HDAC2MEN1KMT2A
SCHEMBL3334438 0.79 KDM4E (0.69) KDM4EHDAC2MEN1KMT2AALDH1A1
SCHEMBL8167178 0.79 KDM4E (0.69) KDM4EHDAC2MEN1KMT2AALDH1A1
SCHEMBL3334279 0.79 KDM4E (0.63) KDM4EHDAC2MEN1KMT2AALDH1A1
SCHEMBL3329378 0.79 KDM4E (0.63) KDM4EHDAC2MEN1KMT2AALDH1A1

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-7935703-B2 Piperazines and piperidines as Mglur5 potentiators ASTRAZENECA AB (SE) 2011-05-03 US claimed
CN-101405266-A Piperazines and piperidines as mGlur5 potentiators ASTRAZENECA AB (SE) 2009-04-08 CN claimed
US-20090023711-A1 Piperazines and Piperidines as Mglur5 Potentiators ASTRAZENECA AB (SE) 2009-01-22 US claimed
EP-1979320-A2 PIPERAZINES AND PIPERIDINES AS mGluR5 POTENTIATORS AstraZeneca AB (SE) 2008-10-15 EP claimed
WO-2007087135-A2 PIPERAZINES AND PIPERIDINES AS mGluR5 POTENTIATORS ASTRAZENECA AB (SE) 2007-08-02 WO claimed
US-7935703-B2 Piperazines and piperidines as Mglur5 potentiators ASTRAZENECA AB (SE) 2011-05-03 US disclosed
US-7935703-B2 Piperazines and piperidines as Mglur5 potentiators ASTRAZENECA AB (SE) 2011-05-03 US disclosed
US-7935703-B2 Piperazines and piperidines as Mglur5 potentiators ASTRAZENECA AB (SE) 2011-05-03 US disclosed
EP-1979320-B1 PIPERAZINES AND PIPERIDINES AS mGluR5 POTENTIATORS ASTRAZENECA AB (SE) 2009-10-21 EP disclosed
US-20090023711-A1 Piperazines and Piperidines as Mglur5 Potentiators ASTRAZENECA AB (SE) 2009-01-22 US disclosed
US-20090023711-A1 Piperazines and Piperidines as Mglur5 Potentiators ASTRAZENECA AB (SE) 2009-01-22 US disclosed
US-20090023711-A1 Piperazines and Piperidines as Mglur5 Potentiators ASTRAZENECA AB (SE) 2009-01-22 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 (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-20090023711-A1 Piperazines and Piperidines as Mglur5 Potentiators GRM5, GRM1, GRIN1 KDM4E 2334/4885GRM5 1/4885TP53 4798/4885

“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.