SCHEMBL2116934

SCHEMBL2116934

CCOc1ccc(-n2c(-c3ccccc3)nc3c(cnn3-c3ccccc3)c2=O)cc1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.67
TP53 P04637 4/20 0.66
MAPT P10636 3/20 0.66
LMNA P02545 3/20 0.62
TSHR P16473 3/20 0.62
HTT P42858 3/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
POLB P06746 1/20 0.62
THRB P10828 1/20 0.58
GRM1 Q13255 3/20 0.56
GRM5 P41594 1/20 0.55
ALDH1A1 P00352 3/20 0.54
HPGD P15428 2/20 0.54
ALOX15 P16050 1/20 0.54
MAPK1 P28482 1/20 0.54
DPP4 P27487 1/20 0.54
XBP1 P17861 1/20 0.53
KDM4E B2RXH2 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL2118435 0.95 MAPT (0.73) NPSR1TP53MAPTLMNATSHR
SCHEMBL2117535 0.93 MAPT (0.68) NPSR1TP53MAPTLMNATSHR
SCHEMBL2117412 0.93 MAPT (0.76) NPSR1TP53MAPTLMNATSHR
SCHEMBL2115941 0.88 LMNA (0.79) NPSR1TP53MAPTLMNATSHR
SCHEMBL2117130 0.87 TP53 (0.67) NPSR1TP53MAPTLMNATSHR
SCHEMBL2114882 0.86 MAPT (0.76) TP53MAPTLMNATSHRHTT
SCHEMBL2115952 0.85 MAPT (0.87) NPSR1TP53MAPTLMNATSHR
SCHEMBL2116994 0.83 MAPT (0.89) NPSR1TP53MAPTLMNATSHR
SCHEMBL2117878 0.83 MAPT (0.77) NPSR1TP53MAPTLMNATSHR
SCHEMBL1753218 0.82 MAPT (0.87) NPSR1TP53MAPTLMNATSHR

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 5 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

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 NPSR1 391/4885TP53 4351/4885MAPT 4328/4885
US-20120225869-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH NPSR1 92/4885TP53 4640/4885MAPT 1780/4885
US-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH NPSR1 92/4885TP53 4640/4885MAPT 1780/4885

“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.