SCHEMBL2117412

SCHEMBL2117412

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

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.76
GRM1 Q13255 3/20 0.64
NPSR1 Q6W5P4 2/20 0.61
KDM4E B2RXH2 1/20 0.61
TP53 P04637 3/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
LMNA P02545 3/20 0.57
TSHR P16473 3/20 0.57
HTT P42858 3/20 0.57
POLB P06746 1/20 0.57
DPP4 P27487 2/20 0.55
HPGD P15428 3/20 0.54
GRM5 P41594 1/20 0.51
THRB P10828 1/20 0.51
ALDH1A1 P00352 3/20 0.50
ALOX15 P16050 1/20 0.50
MAPK1 P28482 1/20 0.50
XBP1 P17861 1/20 0.48
KMT2A Q03164 1/20 0.48

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) MAPTGRM1NPSR1KDM4ETP53
SCHEMBL2118435 0.92 MAPT (0.73) MAPTGRM1NPSR1KDM4ETP53
SCHEMBL2117535 0.90 MAPT (0.68) MAPTGRM1NPSR1TP53SMN1; SMN2
SCHEMBL1753222 0.89 MAPT (0.81) MAPTGRM1NPSR1KDM4ETP53
SCHEMBL2119601 0.89 MAPT (0.91) MAPTGRM1NPSR1KDM4ETP53
SCHEMBL1753211 0.87 MAPT (1.00) MAPTGRM1NPSR1KDM4ETP53
SCHEMBL2117890 0.87 MAPT (1.00) MAPTGRM1NPSR1KDM4ETP53
SCHEMBL1753273 0.87 MAPT (0.87) MAPTGRM1NPSR1KDM4ETP53
SCHEMBL1753218 0.87 MAPT (0.87) MAPTGRM1NPSR1KDM4ETP53
SCHEMBL1753565 0.85 MAPT (0.73) MAPTGRM1KDM4ETP53SMN1; SMN2

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-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 (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-20070299047-A1 Combination of Organic Compounds GLP1R, PPARG, GCGR MAPT 4328/4885GRM1 960/4885NPSR1 391/4885
US-20120225869-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH MAPT 1780/4885GRM1 69/4885NPSR1 92/4885

“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.