SCHEMBL3334649

SCHEMBL3334649

CCCCc1ccc(OCC(=O)N2CCN(c3ncccc3C#N)CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.62
ALDH1A1 P00352 3/20 0.50
MAPT P10636 2/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
DRD2 P14416 1/20 0.48
HTR2A P28223 1/20 0.48
THRB P10828 1/20 0.47
PPARG P37231 1/20 0.47
NR2E3 Q9Y5X4 1/20 0.47
NCOR2 Q9Y618 1/20 0.47
POLB P06746 1/20 0.47
PANK3 Q9H999 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TP53 P04637 1/20 0.45
HTR1A P08908 1/20 0.45
HTR1D P28221 1/20 0.45
HTR1B P28222 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
SCHEMBL8172312 0.90 KDM4E (0.50) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL3334079 0.87 KDM4E (0.58) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL3329355 0.85 KDM4E (0.76) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL3334891 0.84 KDM4E (0.53) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL3331527 0.83 MEN1 (0.55) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL3338988 0.83 KDM4E (0.52) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL3338157 0.83 KDM4E (0.58) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL3334723 0.82 KDM4E (0.60) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL3338768 0.81 MEN1 (0.50) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL3334926 0.81 KDM4E (0.49) KDM4EALDH1A1MEN1KMT2ATDP1

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 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

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.