SCHEMBL1753239

SCHEMBL1753239

O=c1c2cnn(-c3ccccc3)c2nc(-c2ccccc2F)n1-c1ccc(Br)cc1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 4/20 0.69
MAPT P10636 4/20 0.69
KDM4E B2RXH2 1/20 0.67
TP53 P04637 2/20 0.65
SMN1; SMN2 Q16637 4/20 0.57
HPGD P15428 3/20 0.57
TSHR P16473 3/20 0.55
HTT P42858 3/20 0.55
ALDH1A1 P00352 2/20 0.55
LMNA P02545 2/20 0.55
ALOX15 P16050 1/20 0.55
MAPK1 P28482 1/20 0.55
DPP4 P27487 2/20 0.55
GRM5 P41594 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
KMT2A Q03164 1/20 0.53
POLB P06746 1/20 0.52
PDE5A O76074 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
SCHEMBL2117289 0.93 TP53 (0.69) GRM1MAPTKDM4ETP53SMN1; SMN2
SCHEMBL1753563 0.92 TP53 (0.58) GRM1MAPTKDM4ETP53SMN1; SMN2
SCHEMBL1753212 0.91 TP53 (0.67) GRM1MAPTKDM4ETP53SMN1; SMN2
SCHEMBL1753235 0.91 TP53 (0.62) GRM1MAPTKDM4ETP53SMN1; SMN2
SCHEMBL16302120 0.91 TP53 (0.58) GRM1MAPTKDM4ETP53SMN1; SMN2
SCHEMBL1753296 0.90 TP53 (0.78) GRM1MAPTKDM4ETP53SMN1; SMN2
SCHEMBL1753227 0.90 TP53 (0.66) GRM1MAPTKDM4ETP53SMN1; SMN2
SCHEMBL1689178 0.90 TP53 (0.57) GRM1MAPTKDM4ETP53SMN1; SMN2
SCHEMBL1753165 0.90 TP53 (0.72) GRM1MAPTKDM4ETP53SMN1; SMN2
SCHEMBL1689199 0.90 TP53 (0.67) GRM1MAPTKDM4ETP53SMN1; 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 15 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
US-20070299047-A1 Combination of Organic Compounds MAHER WILLIAM 2007-12-27 US disclosed
EP-1791600-A1 COMBINATION OF ORGANIC COMPOUNDS Novartis AG (CH) 2007-06-06 EP disclosed
WO-2006029349-A1 COMBINATION OF ORGANIC COMPOUNDS NOVARTIS AG (CH) 2006-03-16 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 (3 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-20070299047-A1 Combination of Organic Compounds GLP1R, PPARG, GCGR GRM1 960/4885MAPT 4328/4885KDM4E 3428/4885
US-20120225869-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH GRM1 69/4885MAPT 1780/4885KDM4E 1763/4885
US-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH GRM1 69/4885MAPT 1780/4885KDM4E 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.