SCHEMBL2117019

SCHEMBL2117019

Cc1ccccc1-n1c(-c2ccc(Cl)cc2)nc2c(cnn2-c2ccccc2)c1=O

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.67
MAPT P10636 3/20 0.66
GRM1 Q13255 7/20 0.65
GRM5 P41594 2/20 0.65
THRB P10828 1/20 0.61
ALDH1A1 P00352 3/20 0.59
HPGD P15428 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
KMT2A Q03164 2/20 0.59
TSHR P16473 2/20 0.54
DPP4 P27487 2/20 0.53
HTT P42858 1/20 0.53
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.53
KDR P35968 1/20 0.52

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
SCHEMBL2115393 0.92 MAPT (0.64) TP53MAPTGRM1GRM5THRB
SCHEMBL2117572 0.91 MAPT (0.71) TP53MAPTGRM1GRM5THRB
SCHEMBL2115720 0.89 MAPT (0.75) TP53MAPTGRM1GRM5THRB
SCHEMBL1689149 0.89 MAPT (0.78) TP53MAPTGRM1GRM5THRB
SCHEMBL1753380 0.88 MAPT (0.80) TP53MAPTGRM1GRM5THRB
SCHEMBL1689284 0.86 MAPT (0.71) TP53MAPTGRM1GRM5THRB
SCHEMBL1753154 0.86 TP53 (0.69) TP53MAPTGRM1GRM5THRB
SCHEMBL2116103 0.86 TP53 (0.82) TP53MAPTGRM1GRM5THRB
SCHEMBL1753259 0.86 TP53 (0.82) TP53MAPTGRM1GRM5THRB
SCHEMBL1753279 0.85 MAPT (0.80) TP53MAPTGRM1GRM5THRB

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 TP53 4351/4885MAPT 4328/4885GRM1 960/4885
US-20120225869-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH TP53 4640/4885MAPT 1780/4885GRM1 69/4885
US-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH TP53 4640/4885MAPT 1780/4885GRM1 69/4885

“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.