SCHEMBL2117535

SCHEMBL2117535

CCOc1ccc(-n2c(-c3ccc(Cl)cc3)nc3c(cnn3-c3ccccc3)c2=O)cc1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.68
GRM1 Q13255 4/20 0.64
GRM5 P41594 1/20 0.64
TP53 P04637 3/20 0.63
NPSR1 Q6W5P4 2/20 0.61
SMN1; SMN2 Q16637 6/20 0.61
TSHR P16473 4/20 0.61
HTT P42858 4/20 0.61
LMNA P02545 3/20 0.61
HPGD P15428 2/20 0.61
XBP1 P17861 1/20 0.61
ALDH1A1 P00352 1/20 0.61
KMT2A Q03164 1/20 0.61
THRB P10828 1/20 0.58
POLB P06746 1/20 0.57

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
SCHEMBL2116934 0.93 NPSR1 (0.67) MAPTGRM1GRM5TP53NPSR1
SCHEMBL2118435 0.92 MAPT (0.73) MAPTGRM1GRM5TP53NPSR1
SCHEMBL2117412 0.90 MAPT (0.76) MAPTGRM1GRM5TP53NPSR1
SCHEMBL1753380 0.89 MAPT (0.80) MAPTGRM1GRM5TP53SMN1; SMN2
SCHEMBL1754752 0.88 MAPT (0.70) MAPTGRM1GRM5TP53NPSR1
SCHEMBL1689149 0.88 MAPT (0.78) MAPTGRM1GRM5TP53SMN1; SMN2
SCHEMBL1753259 0.87 TP53 (0.82) MAPTGRM1GRM5TP53NPSR1
SCHEMBL2116103 0.87 TP53 (0.82) MAPTGRM1GRM5TP53NPSR1
SCHEMBL1753279 0.87 MAPT (0.80) MAPTGRM1GRM5TP53SMN1; SMN2
SCHEMBL1689346 0.86 MAPT (0.65) MAPTGRM1GRM5TP53NPSR1

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 MAPT 4328/4885GRM1 960/4885GRM5 1734/4885
US-20120225869-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH MAPT 1780/4885GRM1 69/4885GRM5 83/4885
US-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH MAPT 1780/4885GRM1 69/4885GRM5 83/4885

“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.