SCHEMBL3334079

SCHEMBL3334079

CCCCOc1ccc(CC(=O)N2CCN(c3ncccc3C#N)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.58
ALDH1A1 P00352 2/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HSD17B10 Q99714 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
DRD2 P14416 3/20 0.49
HTR2A P28223 3/20 0.49
TDP1 Q9NUW8 1/20 0.49
PANK3 Q9H999 1/20 0.48
HRH2 P25021 1/20 0.46
HRH1 P35367 1/20 0.46
ME2 P23368 2/20 0.46
ME1 P48163 2/20 0.46
ME3 Q16798 2/20 0.46
RECQL P46063 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL3331527 0.96 MEN1 (0.55) KDM4EALDH1A1MAPTHPGDNPSR1
SCHEMBL3338157 0.96 KDM4E (0.58) KDM4EALDH1A1MAPTHPGDNPSR1
SCHEMBL3334723 0.92 KDM4E (0.60) KDM4EALDH1A1MAPTHPGDNPSR1
SCHEMBL3340041 0.91 KDM4E (0.57) KDM4EALDH1A1MAPTHPGDNPSR1
SCHEMBL3330482 0.89 KDM4E (0.55) KDM4EALDH1A1MAPTHPGDNPSR1
SCHEMBL3335980 0.89 KDM4E (0.59) KDM4EALDH1A1MAPTHPGDNPSR1
SCHEMBL3333723 0.88 KDM4E (0.56) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL3334649 0.87 KDM4E (0.62) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL3332938 0.86 KDM4E (0.61) KDM4EALDH1A1MAPTHPGDNPSR1
SCHEMBL3332172 0.86 KDM4E (0.58) KDM4EALDH1A1MAPTHPGDNPSR1

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 11 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
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
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 1506/4885MAPT 2485/4885

“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.