SCHEMBL1753273

SCHEMBL1753273

O=c1c2cnn(-c3ccccc3)c2nc(-c2ccc(-c3ccccc3)cc2)n1-c1ccc(Br)cc1

nearest known ligand 0.87

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.87
GRM1 Q13255 3/20 0.73
KDM4E B2RXH2 1/20 0.71
TP53 P04637 2/20 0.67
SMN1; SMN2 Q16637 4/20 0.60
HPGD P15428 3/20 0.60
THRB P10828 1/20 0.59
ALDH1A1 P00352 2/20 0.58
LMNA P02545 2/20 0.58
TSHR P16473 2/20 0.58
HTT P42858 2/20 0.58
ALOX15 P16050 1/20 0.58
MAPK1 P28482 1/20 0.58
DPP4 P27487 2/20 0.58
GRM5 P41594 2/20 0.57
KMT2A Q03164 1/20 0.56
POLB P06746 1/20 0.55
PTGS2 P35354 2/20 0.53
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL1753218 0.98 MAPT (0.87) MAPTGRM1KDM4ETP53SMN1; SMN2
SCHEMBL2119601 0.98 MAPT (0.91) MAPTGRM1KDM4ETP53SMN1; SMN2
SCHEMBL2117890 0.93 MAPT (1.00) MAPTGRM1KDM4ETP53SMN1; SMN2
SCHEMBL1753211 0.93 MAPT (1.00) MAPTGRM1KDM4ETP53SMN1; SMN2
SCHEMBL1753561 0.92 MAPT (0.82) MAPTGRM1KDM4ETP53SMN1; SMN2
SCHEMBL1753205 0.92 MAPT (0.82) MAPTGRM1KDM4ETP53SMN1; SMN2
SCHEMBL2117564 0.92 MAPT (0.82) MAPTGRM1KDM4ETP53SMN1; SMN2
SCHEMBL1753534 0.92 MAPT (0.82) MAPTGRM1KDM4ETP53SMN1; SMN2
SCHEMBL1753226 0.90 MAPT (0.79) MAPTGRM1KDM4ETP53SMN1; SMN2
SCHEMBL2114882 0.90 MAPT (0.76) MAPTGRM1KDM4ETP53SMN1; 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 MAPT 1780/4885GRM1 69/4885KDM4E 1763/4885
US-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH MAPT 1780/4885GRM1 69/4885KDM4E 1763/4885

“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.