SCHEMBL2117294

SCHEMBL2117294

Cc1ccccc1-c1nc2c(cnn2-c2ccccc2)c(=O)n1-c1ccccc1C

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.57
GRM1 Q13255 4/20 0.56
GRM5 P41594 3/20 0.55
LMNA P02545 2/20 0.54
TSHR P16473 2/20 0.54
HTT P42858 2/20 0.54
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.54
ALOX15 P16050 1/20 0.54
MAPK1 P28482 1/20 0.54
MAPT P10636 3/20 0.54
TP53 P04637 2/20 0.54
POLB P06746 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
THRB P10828 1/20 0.52
NPSR1 Q6W5P4 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
SCHEMBL2117014 0.91 TP53 (0.62) DPP4GRM1GRM5LMNATSHR
SCHEMBL2115393 0.89 MAPT (0.64) DPP4GRM1GRM5LMNATSHR
SCHEMBL2117925 0.87 MAPT (0.71) DPP4GRM1GRM5LMNATSHR
SCHEMBL2117572 0.86 MAPT (0.71) DPP4GRM1GRM5LMNATSHR
SCHEMBL2117655 0.85 SMN1; SMN2 (0.61) DPP4GRM1GRM5LMNATSHR
SCHEMBL1753558 0.85 GRM1 (0.73) DPP4GRM1GRM5LMNATSHR
SCHEMBL2115828 0.84 TP53 (0.74) DPP4GRM1GRM5LMNATSHR
SCHEMBL2115720 0.84 MAPT (0.75) DPP4GRM1GRM5LMNATSHR
SCHEMBL2117019 0.84 TP53 (0.67) DPP4GRM1GRM5LMNATSHR
SCHEMBL2117289 0.78 TP53 (0.69) DPP4GRM1GRM5LMNATSHR

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 DPP4 50/4885GRM1 960/4885GRM5 1734/4885
US-20120225869-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH DPP4 2481/4885GRM1 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.