SCHEMBL4164601

SCHEMBL4164601

Nc1ccc(-c2ccc(-c3nc4c(cnn4-c4cccc(S(N)(=O)=O)c4)c(=O)n3-c3ccc(Cl)cc3)cc2)nc1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 8/20 0.67
MAPT P10636 4/20 0.54
TP53 P04637 2/20 0.50
GRM5 P41594 2/20 0.47
SMN1; SMN2 Q16637 5/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
KMT2A Q03164 2/20 0.46
THRB P10828 1/20 0.46
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL4164801 0.93 GRM1 (0.59) GRM1MAPTTP53GRM5SMN1; SMN2
SCHEMBL4180742 0.90 GRM1 (0.56) GRM1MAPTTP53GRM5SMN1; SMN2
SCHEMBL4164830 0.87 GRM1 (0.67) GRM1MAPTTP53GRM5SMN1; SMN2
SCHEMBL4163066 0.87 GRM1 (0.74) GRM1MAPTTP53GRM5SMN1; SMN2
SCHEMBL4166802 0.86 MAPT (0.53) GRM1MAPTTP53GRM5SMN1; SMN2
SCHEMBL4157160 0.85 MAPT (0.54) GRM1MAPTTP53GRM5SMN1; SMN2
SCHEMBL4163363 0.85 MAPT (0.53) GRM1MAPTTP53GRM5SMN1; SMN2
SCHEMBL4164283 0.84 GRM1 (0.47) GRM1MAPT
SCHEMBL4163385 0.84 GRM1 (0.60) GRM1MAPTTP53GRM5SMN1; SMN2
SCHEMBL27744844 0.83 MAPT (0.51) GRM1MAPTTP53GRM5SMN1; 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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722691-B2 Azolopyrimidines as inhibitors of cannabinoid 1 activity IRM LLC (BM) 2014-05-13 US claimed
EP-1999132-B1 AZOLOPYRIMIDINES AS INHIBITORS OF CANNABINOID 1 ACTIVITY IRM LLC (BM) 2012-07-18 EP claimed
US-20090247556-A1 Azolopyrimidines as Inhibitors of Cannabinoid 1 Activity IRM LLC (BM) 2009-10-01 US claimed
CN-101454327-A Azolopyrimidines as inhibitors of cannabinoid 1 activity IRM LLC (BM) 2009-06-10 CN claimed
EP-1999132-A1 AZOLOPYRIMIDINES AS INHIBITORS OF CANNABINOID 1 ACTIVITY IRM, LLC (BM) 2008-12-10 EP claimed
WO-2007120454-A1 AZOLOPYRIMIDINES AS INHIBITORS OF CANNABINOID 1 ACTIVITY IRM LLC (BM) 2007-10-25 WO claimed
US-8722691-B2 Azolopyrimidines as inhibitors of cannabinoid 1 activity IRM LLC (BM) 2014-05-13 US disclosed
US-8722691-B2 Azolopyrimidines as inhibitors of cannabinoid 1 activity IRM LLC (BM) 2014-05-13 US disclosed
US-8722691-B2 Azolopyrimidines as inhibitors of cannabinoid 1 activity IRM LLC (BM) 2014-05-13 US disclosed
EP-1999132-B1 AZOLOPYRIMIDINES AS INHIBITORS OF CANNABINOID 1 ACTIVITY IRM LLC (BM) 2012-07-18 EP disclosed
US-20090247556-A1 Azolopyrimidines as Inhibitors of Cannabinoid 1 Activity IRM LLC (BM) 2009-10-01 US disclosed
US-20090247556-A1 Azolopyrimidines as Inhibitors of Cannabinoid 1 Activity IRM LLC (BM) 2009-10-01 US disclosed
US-20090247556-A1 Azolopyrimidines as Inhibitors of Cannabinoid 1 Activity IRM LLC (BM) 2009-10-01 US disclosed
CN-101454327-A Azolopyrimidines as inhibitors of cannabinoid 1 activity IRM LLC (BM) 2009-06-10 CN disclosed
EP-1999132-A1 AZOLOPYRIMIDINES AS INHIBITORS OF CANNABINOID 1 ACTIVITY IRM, LLC (BM) 2008-12-10 EP disclosed
WO-2007120454-A1 AZOLOPYRIMIDINES AS INHIBITORS OF CANNABINOID 1 ACTIVITY IRM LLC (BM) 2007-10-25 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 (1 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-20090247556-A1 Azolopyrimidines as Inhibitors of Cannabinoid 1 Activity CNR1, CNR2, ITPR2 GRM1 424/4885MAPT 2577/4885TP53 2988/4885

“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.