SCHEMBL3334782

SCHEMBL3334782

CCCCOc1ccc(CC(=O)N2CCC(Nc3ncccc3C#N)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.44
CYP2D6 P10635 2/20 0.44
HSD11B1 P28845 2/20 0.44
HSD11B2 P80365 1/20 0.44
HRH2 P25021 1/20 0.43
HRH1 P35367 1/20 0.43
MLNR O43193 5/20 0.43
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
HSD17B10 Q99714 1/20 0.42
LMNA P02545 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
SCHEMBL3334079 0.82 KDM4E (0.58) HRH2HRH1ALDH1A1HPGDNPSR1
SCHEMBL3335575 0.81 HRH2 (0.41) HRH2HRH1MLNRALDH1A1HPGD
SCHEMBL3331527 0.79 MEN1 (0.55) HRH2HRH1ALDH1A1HPGDNPSR1
SCHEMBL3338157 0.79 KDM4E (0.58) ALDH1A1HPGDNPSR1L3MBTL1SMN1; SMN2
SCHEMBL3334743 0.78 THRB (0.52) HRH2HRH1ALDH1A1HPGDNPSR1
SCHEMBL3331511 0.77 HPGD (0.50) HRH2HRH1ALDH1A1HPGDNPSR1
SCHEMBL3334723 0.74 KDM4E (0.60) ALDH1A1HPGDNPSR1L3MBTL1SMN1; SMN2
SCHEMBL3335793 0.74 ME2 (0.47) CYP2D6HRH2HRH1HPGDNPSR1
SCHEMBL3340041 0.74 KDM4E (0.57) ALDH1A1HPGDNPSR1L3MBTL1SMN1; SMN2
SCHEMBL3335610 0.74 GPR119 (0.54) CYP3A4CYP2D6HSD11B1HSD11B2ALDH1A1

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 CYP3A4 2903/4885CYP2D6 1509/4885HSD11B1 3567/4885

“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.