SCHEMBL3334743

SCHEMBL3334743

CCCCOc1ccc(CC(=O)N2CCN(c3ccccc3C#N)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.52
HRH2 P25021 1/20 0.52
HRH1 P35367 1/20 0.52
HTR1A P08908 2/20 0.52
HTR1D P28221 2/20 0.52
HTR1B P28222 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
ME2 P23368 2/20 0.49
ME1 P48163 2/20 0.49
ME3 Q16798 2/20 0.49
HPGD P15428 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HSD17B10 Q99714 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MAPT P10636 2/20 0.48
ALDH1A1 P00352 2/20 0.47
NPC1 O15118 1/20 0.47
TSHR P16473 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
SCHEMBL3335793 0.87 ME2 (0.47) THRBHRH2HRH1SMN1; SMN2ME2
SCHEMBL3331511 0.86 HPGD (0.50) HRH2HRH1SMN1; SMN2KMT2AMEN1
SCHEMBL3334079 0.86 KDM4E (0.58) HRH2HRH1SMN1; SMN2KMT2AMEN1
SCHEMBL8160569 0.85 HRH2 (0.53) HRH2HRH1SMN1; SMN2KMT2AMEN1
SCHEMBL3331527 0.83 MEN1 (0.55) HRH2HRH1SMN1; SMN2KMT2AMEN1
SCHEMBL3338157 0.82 KDM4E (0.58) SMN1; SMN2KMT2AMEN1HPGDNPSR1
SCHEMBL3085560 0.80 NPC1 (0.61) THRBHTR1AHTR1DHTR1BSMN1; SMN2
SCHEMBL3333658 0.79 ME2 (0.48) HRH2HRH1SMN1; SMN2ME2ME1
SCHEMBL3091995 0.78 MAPT (0.57) THRBHTR1AHTR1DHTR1BSMN1; SMN2
SCHEMBL3334782 0.78 CYP3A4 (0.44) HRH2HRH1SMN1; SMN2HPGDNPSR1

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 8 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
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 THRB 784/4885HRH2 140/4885HRH1 148/4885

“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.