SCHEMBL3334438

SCHEMBL3334438

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

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.69
ALDH1A1 P00352 2/20 0.57
TDP1 Q9NUW8 1/20 0.57
RECQL P46063 1/20 0.57
PANK3 Q9H999 1/20 0.55
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
HDAC2 Q92769 2/20 0.53
DRD2 P14416 3/20 0.52
HTR2A P28223 3/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
MAPT P10636 1/20 0.51
HSD11B1 P28845 2/20 0.51
DRD4 P21917 1/20 0.49
HTR1A P08908 1/20 0.49
HTR7 P34969 1/20 0.49

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
SCHEMBL8167178 0.87 KDM4E (0.69) KDM4EALDH1A1TDP1RECQLPANK3
SCHEMBL8235906 0.87 KDM4E (0.69) KDM4EALDH1A1TDP1RECQLPANK3
SCHEMBL3334496 0.87 KDM4E (0.69) KDM4EALDH1A1TDP1RECQLPANK3
SCHEMBL3336022 0.84 KDM4E (0.65) KDM4EALDH1A1TDP1RECQLPANK3
SCHEMBL5484039 0.84 KDM4E (0.65) KDM4EALDH1A1TDP1RECQLPANK3
SCHEMBL5901321 0.84 KDM4E (0.68) KDM4EALDH1A1TDP1RECQLPANK3
SCHEMBL29678394 0.83 KDM4E (0.65) KDM4EALDH1A1TDP1RECQLPANK3
SCHEMBL13862949 0.83 KDM4E (0.65) KDM4EALDH1A1TDP1RECQLPANK3
SCHEMBL3329355 0.82 KDM4E (0.76) KDM4EALDH1A1TDP1RECQLHDAC2
SCHEMBL3329378 0.82 KDM4E (0.63) KDM4EALDH1A1TDP1RECQLPANK3

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 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
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 3322/4885ALDH1A1 1506/4885TDP1 3319/4885

“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.