SCHEMBL2115886

SCHEMBL2115886

CC(C)c1ccc(-n2c(-c3ccc(Br)cc3)nc3c(cnn3-c3ccccc3)c2=O)cc1

nearest known ligand 0.81

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.81
GRM1 Q13255 4/20 0.68
KDM4E B2RXH2 1/20 0.64
TP53 P04637 2/20 0.61
GRM5 P41594 2/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
ALDH1A1 P00352 3/20 0.56
LMNA P02545 3/20 0.56
THRB P10828 1/20 0.56
DPP4 P27487 2/20 0.55
HPGD P15428 3/20 0.54
KMT2A Q03164 1/20 0.53
TSHR P16473 2/20 0.53
HTT P42858 2/20 0.53
ALOX15 P16050 1/20 0.53
MAPK1 P28482 1/20 0.53
POLB P06746 1/20 0.52
PTGS2 P35354 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
SCHEMBL2117654 0.93 MAPT (0.69) MAPTGRM1KDM4ETP53GRM5
SCHEMBL2115730 0.92 MAPT (0.77) MAPTGRM1KDM4ETP53GRM5
SCHEMBL2119601 0.92 MAPT (0.91) MAPTGRM1KDM4ETP53GRM5
SCHEMBL1688962 0.90 TP53 (0.67) MAPTGRM1KDM4ETP53GRM5
SCHEMBL2117890 0.89 MAPT (1.00) MAPTGRM1KDM4ETP53GRM5
SCHEMBL1753211 0.89 MAPT (1.00) MAPTGRM1KDM4ETP53GRM5
SCHEMBL1753273 0.89 MAPT (0.87) MAPTGRM1KDM4ETP53GRM5
SCHEMBL1753218 0.89 MAPT (0.87) MAPTGRM1KDM4ETP53GRM5
SCHEMBL1753561 0.89 MAPT (0.82) MAPTGRM1KDM4ETP53GRM5
SCHEMBL1753205 0.89 MAPT (0.82) MAPTGRM1KDM4ETP53GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158634-B2 Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC (BM) 2012-04-17 US claimed
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-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 MAPT 4328/4885GRM1 960/4885KDM4E 3428/4885
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.