SCHEMBL1753049

SCHEMBL1753049

CN1CCN(Cc2ccc(-n3ncc4c(=O)n(-c5ccc(Cl)cc5)c(-c5ccc(Cl)cc5Cl)nc43)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 6/20 0.53
MAPT P10636 3/20 0.51
SMN1; SMN2 Q16637 5/20 0.49
HPGD P15428 2/20 0.49
ALDH1A1 P00352 1/20 0.49
KMT2A Q03164 1/20 0.49
GRM5 P41594 1/20 0.49
TSHR P16473 4/20 0.47
HTT P42858 3/20 0.47
LMNA P02545 2/20 0.47
XBP1 P17861 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
POLB P06746 1/20 0.47
CNR1 P21554 1/20 0.47
KCNH2 Q12809 1/20 0.47
TP53 P04637 2/20 0.45
THRB P10828 1/20 0.45

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
SCHEMBL1753194 0.85 GRM1 (0.57) GRM1MAPTSMN1; SMN2HPGDALDH1A1
SCHEMBL1689362 0.84 GRM1 (0.51) GRM1MAPTSMN1; SMN2HPGDALDH1A1
SCHEMBL1753297 0.83 MAPT (0.61) GRM1MAPTSMN1; SMN2HPGDALDH1A1
SCHEMBL1753008 0.82 MAPT (0.69) GRM1MAPTSMN1; SMN2HPGDALDH1A1
SCHEMBL1753192 0.81 GRM1 (0.60) GRM1MAPTSMN1; SMN2HPGDALDH1A1
SCHEMBL1753294 0.81 GRM1 (0.60) GRM1MAPTSMN1; SMN2HPGDALDH1A1
SCHEMBL1689304 0.79 MAPT (0.56) GRM1MAPTSMN1; SMN2HPGDALDH1A1
SCHEMBL1753101 0.78 GRM1 (0.55) GRM1MAPTSMN1; SMN2HPGDALDH1A1
SCHEMBL1753342 0.77 CNR1 (0.50) GRM1MAPTSMN1; SMN2HPGDALDH1A1
SCHEMBL1688892 0.77 MAPT (0.62) GRM1MAPTSMN1; SMN2HPGDALDH1A1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120225869-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2012-09-06 US claimed
US-8158634-B2 Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC (BM) 2012-04-17 US claimed
US-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-10-01 US claimed
US-20120225869-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2012-09-06 US disclosed
US-20120225869-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2012-09-06 US disclosed
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-8158634-B2 Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC (BM) 2012-04-17 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-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-10-01 US disclosed
US-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-10-01 US 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-20120225869-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH GRM1 69/4885MAPT 1780/4885SMN1; SMN2 3746/4885
US-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH GRM1 69/4885MAPT 1780/4885SMN1; SMN2 3746/4885

“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.