SCHEMBL3335432

SCHEMBL3335432

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

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.56
PANK3 Q9H999 1/20 0.52
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
ALDH1A1 P00352 2/20 0.48
MAPT P10636 1/20 0.48
DRD2 P14416 5/20 0.47
HTR2A P28223 5/20 0.47
TDP1 Q9NUW8 1/20 0.47
RECQL P46063 1/20 0.44
HSD11B1 P28845 1/20 0.42
HTR1A P08908 1/20 0.42
HTR7 P34969 1/20 0.42

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
SCHEMBL3334371 0.89 KDM4E (0.52) KDM4EPANK3MEN1KMT2ACA12
SCHEMBL3334891 0.89 KDM4E (0.53) KDM4EPANK3MEN1KMT2ACA12
SCHEMBL3334079 0.86 KDM4E (0.58) KDM4EPANK3MEN1KMT2ACA12
SCHEMBL3331527 0.83 MEN1 (0.55) KDM4EPANK3MEN1KMT2ACA12
SCHEMBL3338157 0.82 KDM4E (0.58) KDM4EPANK3MEN1KMT2ACA12
SCHEMBL3333723 0.81 KDM4E (0.56) KDM4EPANK3MEN1KMT2ACA12
SCHEMBL3334085 0.81 KDM4E (0.53) KDM4EPANK3MEN1KMT2ACA12
SCHEMBL3334649 0.80 KDM4E (0.62) KDM4EPANK3MEN1KMT2AALDH1A1
SCHEMBL3336022 0.80 KDM4E (0.65) KDM4EPANK3MEN1KMT2ACA12
SCHEMBL8235906 0.78 KDM4E (0.69) KDM4EPANK3MEN1KMT2ACA12

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 13 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
EP-2132428-A2 ELECTROLYTIC IGNITER FOR ROCKET ENGINES USING LIQUID PROPELLANTS Snecma (FR) 2009-12-16 EP disclosed
WO-2008135693-A2 ELECTROLYTIC IGNITER FOR ROCKET ENGINES USING LIQUID PROPELLANTS SNECMA (FR) 2008-11-13 WO 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 3322/4885PANK3 3656/4885MEN1 3484/4885

“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.