SCHEMBL3333658

SCHEMBL3333658

CCCCOc1ccc(CC(=O)N2CCN(c3nccnc3C#N)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ME2 P23368 2/20 0.48
ME1 P48163 2/20 0.48
ME3 Q16798 2/20 0.48
HPGD P15428 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HRH2 P25021 1/20 0.46
HRH1 P35367 1/20 0.46
PANK3 Q9H999 8/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
GFER P55789 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 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
SCHEMBL3331511 0.86 HPGD (0.50) ME2ME1ME3HPGDNPSR1
SCHEMBL3334079 0.86 KDM4E (0.58) ME2ME1ME3HPGDNPSR1
SCHEMBL3331527 0.83 MEN1 (0.55) ME2ME1ME3HPGDNPSR1
SCHEMBL3338157 0.82 KDM4E (0.58) HPGDNPSR1HSD17B10L3MBTL1PANK3
SCHEMBL3334455 0.81 TRPA1 (0.55) ME2ME1ME3HPGDNPSR1
SCHEMBL3335793 0.79 ME2 (0.47) ME2ME1ME3HPGDNPSR1
SCHEMBL3334743 0.79 THRB (0.52) ME2ME1ME3HPGDNPSR1
SCHEMBL3337346 0.78 BRS3 (0.47) ME2ME1ME3HPGDNPSR1
SCHEMBL3336642 0.78 HSD17B10 (0.50) ME2ME1ME3HPGDNPSR1
SCHEMBL3332171 0.78 HRH3 (0.58) ME2ME1ME3HPGDNPSR1

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 4 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
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 ME2 3420/4885ME1 2744/4885ME3 3700/4885

“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.