SCHEMBL3330474

SCHEMBL3330474

CCNc1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
ACHE P22303 2/20 0.51
PARP1 P09874 1/20 0.50
KIT P10721 2/20 0.48
CKS1B P61024 2/20 0.47
SKP1 P63208 2/20 0.47
SKP2 Q13309 2/20 0.47
GPR119 Q8TDV5 3/20 0.47
DTYMK P23919 1/20 0.47
GBA1 P04062 1/20 0.46
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
HTR3A P46098 1/20 0.46
HTR3D Q70Z44 1/20 0.46
HTR3C Q8WXA8 1/20 0.46
TRPV1 Q8NER1 2/20 0.46
TRPA1 O75762 2/20 0.46
GAA P10253 1/20 0.45
GRIA1 P42261 1/20 0.44
CHIA Q9BZP6 1/20 0.44

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
SCHEMBL8925823 0.91 ACHE (0.49) POLBACHEKITCKS1BSKP1
SCHEMBL28766136 0.88 ACHE (0.47) POLBACHEKITCKS1BSKP1
SCHEMBL31652137 0.87 POLB (0.54) POLBACHEKITCKS1BSKP1
SCHEMBL8923840 0.87 ACHE (0.48) POLBACHEKITCKS1BSKP1
SCHEMBL8794748 0.87 POLB (0.49) POLBACHEKITCKS1BSKP1
SCHEMBL22587512 0.85 POLB (0.52) POLBACHEKITCKS1BSKP1
SCHEMBL8921494 0.85 POLB (0.47) POLBACHEKITCKS1BSKP1
SCHEMBL9771687 0.85 PARP1 (0.53) PARP1CKS1BSKP1SKP2HTR3E
SCHEMBL8793643 0.84 POLB (0.54) POLBACHEKITCKS1BSKP1
SCHEMBL29741439 0.84 POLB (0.54) POLBACHEKITCKS1BSKP1

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 7 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 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
CN-101679261-A Piperazine and piperidine mglur5 potentiators ASTRAZENECA AB 2010-03-24 CN disclosed
EP-2134687-A1 PIPERAZINE AND PIPERIDINE MGLUR5 POTENTIATORS AstraZeneca AB (SE) 2009-12-23 EP disclosed
WO-2008112440-A1 PIPERAZINE AND PIPERIDINE MGLUR5 POTENTIATORS ASTRAZENECA AB (SE) 2008-09-18 WO disclosed
WO-2008112440-A1 PIPERAZINE AND PIPERIDINE MGLUR5 POTENTIATORS ASTRAZENECA AB (SE) 2008-09-18 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-20100144710-A1 Piperazine and Piperidine MGLUR5 Potentiators GRM5, GRM1, GRM2 POLB 3443/4885ACHE 2211/4885PARP1 3624/4885

“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.