SCHEMBL3337346

SCHEMBL3337346

CCCCOc1ccc(CC(=O)N2CCN(c3nc(C(F)(F)F)ccc3C#N)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 1/20 0.47
PANK3 Q9H999 6/20 0.47
P2RY12 Q9H244 4/20 0.43
ME2 P23368 2/20 0.43
ME1 P48163 2/20 0.43
ME3 Q16798 2/20 0.43
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41
RET P07949 1/20 0.41
HRH3 Q9Y5N1 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL3334079 0.82 KDM4E (0.58) PANK3ME2ME1ME3HRH2
SCHEMBL3331527 0.79 MEN1 (0.55) PANK3ME2ME1ME3HRH2
SCHEMBL3338157 0.79 KDM4E (0.58) PANK3SMN1; SMN2HPGDNPSR1HSD17B10
SCHEMBL3333658 0.78 ME2 (0.48) PANK3ME2ME1ME3HRH2
SCHEMBL3334743 0.78 THRB (0.52) ME2ME1ME3HRH2HRH1
SCHEMBL3335793 0.76 ME2 (0.47) PANK3ME2ME1ME3HRH2
SCHEMBL3334723 0.74 KDM4E (0.60) PANK3SMN1; SMN2HPGDNPSR1HSD17B10
SCHEMBL3340041 0.74 KDM4E (0.57) PANK3ME2ME1ME3SMN1; SMN2
SCHEMBL2531455 0.74 TRPV1 (0.46) P2RY12SMN1; SMN2HPGDHSD17B10L3MBTL1
SCHEMBL3331511 0.73 HPGD (0.50) PANK3ME2ME1ME3HRH2

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 5 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
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 BRS3 136/4885PANK3 3656/4885P2RY12 562/4885

“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.