SCHEMBL3333697

SCHEMBL3333697

N#Cc1nccnc1N1CCN(C(=O)CCl)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
KDM4E B2RXH2 5/20 0.46
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41
TP53 P04637 2/20 0.38
SCD O00767 1/20 0.37
RBP4 P02753 1/20 0.37
ALDH1A1 P00352 5/20 0.37
TDP1 Q9NUW8 1/20 0.37
GPX4 P36969 1/20 0.36
THRB P10828 1/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PANK3 Q9H999 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL3334438 0.80 KDM4E (0.69) MAPTKDM4EALDH1A1TDP1PANK3
SCHEMBL5486972 0.79 MAPT (0.47) MAPTKDM4EALDH1A1TDP1PANK3
SCHEMBL2077222 0.76 MAPT (0.51) MAPTKDM4EALDH1A1TDP1HPGD
SCHEMBL12269830 0.75 GPR119 (0.48) MAPTCKS1BSKP1SKP2ALDH1A1
SCHEMBL3333658 0.74 ME2 (0.48) MAPTKDM4ESMN1; SMN2PANK3HPGD
SCHEMBL6598196 0.73 MAPT (0.51) MAPTKDM4ETP53ALDH1A1TDP1
SCHEMBL2077223 0.72 MAPT (0.55) MAPTKDM4ETP53ALDH1A1POLB
SCHEMBL10294621 0.72 MAPT (0.51) MAPTKDM4ETP53ALDH1A1TDP1
SCHEMBL5887976 0.71 KDM4E (0.60) MAPTKDM4EALDH1A1TDP1POLB
SCHEMBL513858 0.71 MAPT (0.50) MAPTKDM4EALDH1A1HPGDTSHR

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 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
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 MAPT 2485/4885KDM4E 3322/4885CKS1B 2609/4885

“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.