SCHEMBL3334455

SCHEMBL3334455

CCCCOc1ccc(CC(=O)N2CCN(c3ncccc3Cl)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 5/20 0.55
HPGD P15428 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
HSD17B10 Q99714 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
TRPV1 Q8NER1 1/20 0.53
ME2 P23368 2/20 0.49
ME1 P48163 2/20 0.49
ME3 Q16798 2/20 0.49
HRH2 P25021 1/20 0.49
HRH1 P35367 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.47
GPR183 P32249 1/20 0.47
KMT2A Q03164 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
SCHEMBL3334079 0.86 KDM4E (0.58) HPGDNPSR1HSD17B10L3MBTL1ME2
SCHEMBL3336642 0.86 HSD17B10 (0.50) HPGDNPSR1HSD17B10L3MBTL1ME2
SCHEMBL3331527 0.83 MEN1 (0.55) HPGDNPSR1HSD17B10L3MBTL1ME2
SCHEMBL8169349 0.82 KDM4E (0.45) TRPA1HPGDNPSR1HSD17B10L3MBTL1
SCHEMBL3338157 0.82 KDM4E (0.58) HPGDNPSR1HSD17B10L3MBTL1SMN1; SMN2
SCHEMBL3333658 0.81 ME2 (0.48) HPGDNPSR1HSD17B10L3MBTL1ME2
SCHEMBL27774673 0.81 TRPA1 (0.47) TRPA1TRPV1
SCHEMBL3331511 0.80 HPGD (0.50) HPGDNPSR1HSD17B10L3MBTL1ME2
SCHEMBL3332171 0.77 HRH3 (0.58) HPGDNPSR1HSD17B10L3MBTL1ME2
SCHEMBL3334723 0.77 KDM4E (0.60) HPGDNPSR1HSD17B10L3MBTL1SMN1; SMN2

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 TRPA1 284/4885HPGD 2221/4885NPSR1 190/4885

“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.