SCHEMBL3336112

SCHEMBL3336112

CC(C)(C)OC(=O)N1CCC(NCc2ncccc2C#N)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 12/20 0.47
SSTR4 P31391 1/20 0.47
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.43
USP30 Q70CQ3 1/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NSD2 O96028 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
SCHEMBL2083709 0.85 GPR119 (0.51) GPR119SSTR4ALDH1A1POLBUSP30
SCHEMBL3335610 0.82 GPR119 (0.54) GPR119SSTR4ALDH1A1POLBNPC1
SCHEMBL2087175 0.82 USP30 (0.51) GPR119ALDH1A1POLBUSP30MAPT
SCHEMBL2083614 0.78 GPR119 (0.44) GPR119ALDH1A1POLBUSP30
SCHEMBL8267242 0.77 KDM4E (0.50) GPR119SSTR4ALDH1A1USP30NPC1
SCHEMBL23311657 0.77 GPR119 (0.55) GPR119SSTR4POLB
SCHEMBL8263324 0.77 HTR1A (0.54) GPR119ALDH1A1POLBNPC1MAPT
SCHEMBL16462805 0.77 ALDH1A1 (0.44) GPR119ALDH1A1NPC1MAPTMAPK1
SCHEMBL8266055 0.77 GPR119 (0.57) GPR119ALDH1A1NPC1MAPTMAPK1
SCHEMBL14013163 0.76 GPR119 (0.47) GPR119ALDH1A1POLBUSP30NPC1

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 1 patent. 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 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 GPR119 198/4885SSTR4 942/4885ALDH1A1 1506/4885

“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.