SCHEMBL1753243

SCHEMBL1753243

O=c1c2cnn(-c3ccccc3)c2nc(-c2ccccc2F)n1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.65
SMN1; SMN2 Q16637 4/20 0.55
TSHR P16473 3/20 0.55
HTT P42858 3/20 0.55
LMNA P02545 2/20 0.55
POLB P06746 1/20 0.55
MAPT P10636 4/20 0.51
ALDH1A1 P00352 2/20 0.51
HPGD P15428 2/20 0.51
ALOX15 P16050 1/20 0.51
MAPK1 P28482 1/20 0.51
GRM1 Q13255 4/20 0.50
KDM4E B2RXH2 2/20 0.49
GRM5 P41594 2/20 0.49
KMT2A Q03164 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MEN1 O00255 1/20 0.46
DPP4 P27487 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
SCHEMBL2117289 0.89 TP53 (0.69) TP53SMN1; SMN2TSHRHTTLMNA
SCHEMBL1753163 0.88 TP53 (0.79) TP53SMN1; SMN2TSHRHTTLMNA
SCHEMBL1753282 0.88 TP53 (0.64) TP53SMN1; SMN2TSHRHTTLMNA
SCHEMBL1753212 0.87 TP53 (0.67) TP53SMN1; SMN2TSHRHTTLMNA
SCHEMBL1753296 0.86 TP53 (0.78) TP53SMN1; SMN2TSHRHTTLMNA
SCHEMBL1753227 0.86 TP53 (0.66) TP53SMN1; SMN2TSHRHTTLMNA
SCHEMBL2117130 0.85 TP53 (0.67) TP53SMN1; SMN2TSHRHTTLMNA
SCHEMBL1753542 0.85 GRM1 (0.69) TP53SMN1; SMN2TSHRHTTLMNA
SCHEMBL1753239 0.85 GRM1 (0.69) TP53SMN1; SMN2TSHRHTTLMNA
SCHEMBL1689202 0.84 TP53 (0.65) TP53SMN1; SMN2TSHRHTTLMNA

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 TP53 4640/4885SMN1; SMN2 3746/4885TSHR 2250/4885
US-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH TP53 4640/4885SMN1; SMN2 3746/4885TSHR 2250/4885

“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.