SCHEMBL1753389

SCHEMBL1753389

COc1ccccc1-c1nc2c(cnn2-c2ccccc2)c(=O)n1-c1ccc(Br)cc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 3/20 0.68
MAPT P10636 3/20 0.68
KDM4E B2RXH2 2/20 0.64
SMN1; SMN2 Q16637 4/20 0.60
LMNA P02545 3/20 0.60
TSHR P16473 3/20 0.60
HTT P42858 2/20 0.60
POLB P06746 1/20 0.60
TP53 P04637 3/20 0.57
DPP4 P27487 1/20 0.55
HPGD P15428 3/20 0.54
GRM5 P41594 2/20 0.53
ALDH1A1 P00352 2/20 0.53
ALOX15 P16050 1/20 0.53
MAPK1 P28482 1/20 0.53
PDE5A O76074 1/20 0.52
KMT2A Q03164 2/20 0.51
MEN1 O00255 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
SCHEMBL1753558 0.87 GRM1 (0.73) GRM1MAPTKDM4ESMN1; SMN2LMNA
SCHEMBL1753215 0.86 GRM1 (0.71) GRM1MAPTKDM4ESMN1; SMN2LMNA
SCHEMBL1688910 0.84 GRM1 (0.69) GRM1MAPTKDM4ESMN1; SMN2LMNA
SCHEMBL1753239 0.84 GRM1 (0.69) GRM1MAPTKDM4ESMN1; SMN2LMNA
SCHEMBL1753222 0.84 MAPT (0.81) GRM1MAPTKDM4ESMN1; SMN2LMNA
SCHEMBL1753165 0.83 TP53 (0.72) GRM1MAPTKDM4ESMN1; SMN2LMNA
SCHEMBL1753218 0.82 MAPT (0.87) GRM1MAPTKDM4ESMN1; SMN2LMNA
SCHEMBL2119601 0.82 MAPT (0.91) GRM1MAPTKDM4ESMN1; SMN2LMNA
SCHEMBL1753238 0.82 MAPT (0.65) GRM1MAPTKDM4ESMN1; SMN2LMNA
SCHEMBL1753211 0.81 MAPT (1.00) GRM1MAPTKDM4ESMN1; SMN2LMNA

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 14 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
EP-1807429-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM, LLC (BM) 2007-07-18 EP disclosed
WO-2006047516-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2006-05-04 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 (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 1780/4885KDM4E 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.