SCHEMBL3584891

SCHEMBL3584891

[CH2]N1CCN(c2ccccn2)CC1=O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.51
GRIN2B Q13224 2/20 0.51
GRIN2D O15399 1/20 0.51
GRIN3B O60391 1/20 0.51
GRIN2A Q12879 1/20 0.51
GRIN2C Q14957 1/20 0.51
GRIN3A Q8TCU5 1/20 0.51
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 3/20 0.48
MAPT P10636 2/20 0.48
PLD1 Q13393 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 2/20 0.45
HTR1A P08908 1/20 0.45
POLB P06746 1/20 0.44
KCNH2 Q12809 1/20 0.44
HPGD P15428 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
SCHEMBL3584893 0.82 PIM1 (0.54) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL20812232 0.77 ALDH1A1 (0.48) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL21353591 0.76
SCHEMBL15800694 0.76 PLD1 (0.73) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL29857922 0.76 PLD1 (0.73) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL1371533 0.75 PLD1 (0.61) ALDH1A1KDM4EMAPTPLD1SMN1; SMN2
SCHEMBL21047720 0.75 GRIN2D (0.65) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL20812359 0.72 PLD1 (0.62) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL21047722 0.72 GRIN2D (0.57) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL30666340 0.72 PLD1 (0.62) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A

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-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2013-08-15 US claimed
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2010-09-16 US claimed
US-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2013-08-15 US disclosed
US-8431607-B2 Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2013-04-30 US disclosed
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2010-09-16 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 (2 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-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH GRIN1 40/4885GRIN2B 432/4885GRIN2D 1245/4885
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH GRIN1 40/4885GRIN2B 432/4885GRIN2D 1245/4885

“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.