SCHEMBL2115941

SCHEMBL2115941

COc1ccc(-n2c(-c3ccccc3)nc3c(cnn3-c3ccccc3)c2=O)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.79
TSHR P16473 4/20 0.79
SMN1; SMN2 Q16637 3/20 0.79
HTT P42858 3/20 0.79
POLB P06746 1/20 0.79
TP53 P04637 6/20 0.69
MAPT P10636 4/20 0.69
MEN1 O00255 1/20 0.67
KMT2A Q03164 1/20 0.67
KDM4E B2RXH2 1/20 0.65
HPGD P15428 1/20 0.64
ALDH1A1 P00352 2/20 0.62
NPSR1 Q6W5P4 3/20 0.61
THRB P10828 1/20 0.61
XBP1 P17861 1/20 0.61
ABL1 P00519 1/20 0.60
SRC P12931 1/20 0.60
GAA P10253 1/20 0.60
MAPK1 P28482 1/20 0.60
HSD17B10 Q99714 1/20 0.60

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
SCHEMBL2117878 0.95 MAPT (0.77) LMNATSHRSMN1; SMN2HTTPOLB
SCHEMBL1753222 0.93 MAPT (0.81) LMNATSHRSMN1; SMN2HTTPOLB
SCHEMBL2114882 0.89 MAPT (0.76) LMNATSHRSMN1; SMN2HTTPOLB
SCHEMBL2115952 0.88 MAPT (0.87) LMNATSHRSMN1; SMN2HTTPOLB
SCHEMBL2116934 0.88 NPSR1 (0.67) LMNATSHRSMN1; SMN2HTTPOLB
SCHEMBL1753163 0.86 TP53 (0.79) LMNATSHRSMN1; SMN2HTTPOLB
SCHEMBL2116994 0.86 MAPT (0.89) LMNATSHRSMN1; SMN2HTTPOLB
SCHEMBL1753218 0.85 MAPT (0.87) LMNATSHRSMN1; SMN2HTTPOLB
SCHEMBL2117605 0.84 MAPT (0.87) LMNATSHRSMN1; SMN2HTTPOLB
SCHEMBL2117654 0.84 MAPT (0.69) LMNATSHRSMN1; SMN2HTTPOLB

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 9 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-1807429-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM, LLC (BM) 2007-07-18 EP disclosed
EP-1791600-A1 COMBINATION OF ORGANIC COMPOUNDS Novartis AG (CH) 2007-06-06 EP disclosed
WO-2006047516-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2006-05-04 WO 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 LMNA 1480/4885TSHR 389/4885SMN1; SMN2 4363/4885
US-20120225869-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH LMNA 2549/4885TSHR 2250/4885SMN1; SMN2 3746/4885
US-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH LMNA 2549/4885TSHR 2250/4885SMN1; SMN2 3746/4885

“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.