SCHEMBL1900872

SCHEMBL1900872

CC1CN(c2ccc(Cl)cc2Cl)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SUV39H2 Q9H5I1 2/20 0.48
MAP4K4 O95819 1/20 0.48
NOTUM Q6P988 1/20 0.47
ALDH1A1 P00352 3/20 0.47
HDAC1 Q13547 1/20 0.46
GPR119 Q8TDV5 2/20 0.46
MAPT P10636 3/20 0.45
AKR1C3 P42330 1/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.42
USP30 Q70CQ3 1/20 0.42
CNR1 P21554 2/20 0.42
CNR2 P34972 2/20 0.42
NR1H2 P55055 3/20 0.41
NR1H3 Q13133 2/20 0.41
SETD7 Q8WTS6 1/20 0.41
MEN1 O00255 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL1900868 1.00 SUV39H2 (0.48) SUV39H2MAP4K4NOTUMALDH1A1HDAC1
SCHEMBL1904867 1.00 SUV39H2 (0.48) SUV39H2MAP4K4NOTUMALDH1A1HDAC1
SCHEMBL21261237 0.90 MAPT (0.55) SUV39H2MAP4K4ALDH1A1HDAC1GPR119
SCHEMBL1902481 0.88 MAPT (0.48) SUV39H2MAP4K4ALDH1A1HDAC1GPR119
SCHEMBL20874055 0.88 MAP4K4 (0.51) SUV39H2MAP4K4ALDH1A1HDAC1GPR119
SCHEMBL31553025 0.88 HSD11B1 (0.48) SUV39H2MAP4K4ALDH1A1HDAC1GPR119
SCHEMBL20884865 0.88 MAP4K4 (0.51) SUV39H2MAP4K4ALDH1A1HDAC1GPR119
SCHEMBL20884630 0.88 MAP4K4 (0.51) SUV39H2MAP4K4ALDH1A1HDAC1GPR119
SCHEMBL20139232 0.83 NR1H2 (0.55) SUV39H2MAPTNR1H2NR1H3
SCHEMBL30208177 0.83 NR1H2 (0.55) SUV39H2MAPTNR1H2NR1H3

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7935703-B2 Piperazines and piperidines as Mglur5 potentiators ASTRAZENECA AB (SE) 2011-05-03 US disclosed
US-7935703-B2 Piperazines and piperidines as Mglur5 potentiators ASTRAZENECA AB (SE) 2011-05-03 US disclosed
US-7935703-B2 Piperazines and piperidines as Mglur5 potentiators ASTRAZENECA AB (SE) 2011-05-03 US disclosed
EP-1979320-B1 PIPERAZINES AND PIPERIDINES AS mGluR5 POTENTIATORS ASTRAZENECA AB (SE) 2009-10-21 EP disclosed
US-20090023711-A1 Piperazines and Piperidines as Mglur5 Potentiators ASTRAZENECA AB (SE) 2009-01-22 US disclosed
US-20090023711-A1 Piperazines and Piperidines as Mglur5 Potentiators ASTRAZENECA AB (SE) 2009-01-22 US disclosed
US-20090023711-A1 Piperazines and Piperidines as Mglur5 Potentiators ASTRAZENECA AB (SE) 2009-01-22 US disclosed
EP-1979320-A2 PIPERAZINES AND PIPERIDINES AS mGluR5 POTENTIATORS AstraZeneca AB (SE) 2008-10-15 EP disclosed
WO-2007087135-A2 PIPERAZINES AND PIPERIDINES AS mGluR5 POTENTIATORS ASTRAZENECA AB (SE) 2007-08-02 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-20090023711-A1 Piperazines and Piperidines as Mglur5 Potentiators GRM5, GRM1, GRIN1 SUV39H2 1593/4885MAP4K4 3309/4885NOTUM 4291/4885

“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.