SCHEMBL1753266

SCHEMBL1753266

O=c1c2cnn(-c3ccc([N+](=O)[O-])cc3)c2nc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 7/20 0.61
MAPT P10636 4/20 0.60
GRM5 P41594 1/20 0.56
ALDH1A1 P00352 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
TP53 P04637 3/20 0.56
HPGD P15428 2/20 0.56
KMT2A Q03164 1/20 0.56
HTT P42858 3/20 0.53
LMNA P02545 2/20 0.53
TSHR P16473 2/20 0.53
THRB P10828 1/20 0.51
XBP1 P17861 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
NPC1 O15118 1/20 0.50

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
SCHEMBL1753101 0.87 GRM1 (0.55) GRM1MAPTGRM5ALDH1A1SMN1; SMN2
SCHEMBL1753380 0.85 MAPT (0.80) GRM1MAPTGRM5ALDH1A1SMN1; SMN2
SCHEMBL4166769 0.85 MAPT (0.60) GRM1MAPTGRM5ALDH1A1SMN1; SMN2
SCHEMBL1753270 0.84 GRM1 (0.66) GRM1MAPTGRM5ALDH1A1SMN1; SMN2
SCHEMBL1689149 0.84 MAPT (0.78) GRM1MAPTGRM5ALDH1A1SMN1; SMN2
SCHEMBL1753639 0.83 GRM1 (0.58) GRM1MAPTGRM5ALDH1A1SMN1; SMN2
SCHEMBL1753279 0.83 MAPT (0.80) GRM1MAPTGRM5ALDH1A1SMN1; SMN2
SCHEMBL2116103 0.81 TP53 (0.82) GRM1MAPTGRM5ALDH1A1SMN1; SMN2
SCHEMBL1753259 0.81 TP53 (0.82) GRM1MAPTGRM5ALDH1A1SMN1; SMN2
SCHEMBL1754747 0.80 MAPT (0.72) GRM1MAPTGRM5ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120225869-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2012-09-06 US claimed
US-8158634-B2 Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC (BM) 2012-04-17 US claimed
US-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-10-01 US claimed
US-20120225869-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2012-09-06 US disclosed
US-20120225869-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2012-09-06 US disclosed
US-20120225869-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2012-09-06 US disclosed
US-8158634-B2 Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC (BM) 2012-04-17 US disclosed
US-8158634-B2 Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC (BM) 2012-04-17 US disclosed
US-8158634-B2 Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC (BM) 2012-04-17 US disclosed
US-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-10-01 US disclosed
US-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-10-01 US disclosed
US-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-10-01 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-20120225869-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH GRM1 69/4885MAPT 1780/4885GRM5 83/4885
US-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH GRM1 69/4885MAPT 1780/4885GRM5 83/4885

“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.