SCHEMBL3334723

SCHEMBL3334723

CCOc1ccc(CC(=O)N2CCN(c3ncccc3C#N)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.60
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
ALDH1A1 P00352 2/20 0.53
MAPT P10636 1/20 0.53
HPGD P15428 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HSD17B10 Q99714 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
TDP1 Q9NUW8 1/20 0.51
PANK3 Q9H999 1/20 0.49
DRD2 P14416 1/20 0.48
HTR2A P28223 1/20 0.48
PSMD14 O00487 1/20 0.48
MMP2 P08253 1/20 0.48
RECQL P46063 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
DRD4 P21917 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46

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
SCHEMBL3338157 0.92 KDM4E (0.58) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL3334079 0.92 KDM4E (0.58) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL3340041 0.89 KDM4E (0.57) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL3331527 0.89 MEN1 (0.55) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL3332172 0.88 KDM4E (0.58) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL3332938 0.88 KDM4E (0.61) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL3334279 0.88 KDM4E (0.63) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL3331612 0.87 KDM4E (0.57) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL3335980 0.86 KDM4E (0.59) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL3332898 0.86 KDM4E (0.56) KDM4EMEN1KMT2AALDH1A1MAPT

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 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
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.