SCHEMBL3336022

SCHEMBL3336022

CNCC(=O)N1CCN(c2ncccc2C#N)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.65
PANK3 Q9H999 1/20 0.58
ALDH1A1 P00352 2/20 0.57
TDP1 Q9NUW8 1/20 0.57
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
RECQL P46063 1/20 0.54
MAPT P10636 1/20 0.51
HSD11B1 P28845 2/20 0.51
HDAC2 Q92769 1/20 0.50
DRD2 P14416 3/20 0.49
HTR2A P28223 2/20 0.49
PARP1 P09874 2/20 0.47
TNKS O95271 1/20 0.47
PARP6 Q2NL67 1/20 0.47
TNKS2 Q9H2K2 1/20 0.47

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
SCHEMBL8235906 0.86 KDM4E (0.69) KDM4EPANK3ALDH1A1TDP1CA12
SCHEMBL3334496 0.84 KDM4E (0.69) KDM4EPANK3ALDH1A1TDP1CA12
SCHEMBL8167178 0.84 KDM4E (0.69) KDM4EPANK3ALDH1A1TDP1CA12
SCHEMBL3334438 0.84 KDM4E (0.69) KDM4EPANK3ALDH1A1TDP1CA12
SCHEMBL13862949 0.82 KDM4E (0.65) KDM4EPANK3ALDH1A1TDP1CA12
SCHEMBL29678394 0.82 KDM4E (0.65) KDM4EPANK3ALDH1A1TDP1CA12
SCHEMBL26297064 0.81 KDM4E (0.66) KDM4EPANK3ALDH1A1TDP1CA12
SCHEMBL5484039 0.81 KDM4E (0.65) KDM4EPANK3ALDH1A1TDP1CA12
SCHEMBL5901321 0.81 KDM4E (0.68) KDM4EPANK3ALDH1A1TDP1CA12
SCHEMBL3334891 0.80 KDM4E (0.53) KDM4EPANK3ALDH1A1TDP1CA12

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 6 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

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 3322/4885PANK3 3656/4885ALDH1A1 1506/4885

“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.