SCHEMBL1688883

SCHEMBL1688883

N#Cc1ccc(-n2c(-c3ccccc3F)nc3c(cnn3-c3ccccc3)c2=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.62
MAPT P10636 4/20 0.53
TSHR P16473 3/20 0.53
HTT P42858 3/20 0.53
ALDH1A1 P00352 2/20 0.53
HPGD P15428 2/20 0.53
LMNA P02545 2/20 0.53
ALOX15 P16050 1/20 0.53
MAPK1 P28482 1/20 0.53
GRM1 Q13255 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
GRM5 P41594 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
KDM4E B2RXH2 1/20 0.51
KMT2A Q03164 1/20 0.51
POLB P06746 1/20 0.49
ALDH1A2 O94788 1/20 0.47
ALDH1A3 P47895 1/20 0.47
DPP4 P27487 1/20 0.47
THRB P10828 1/20 0.46

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
SCHEMBL1689178 0.93 TP53 (0.57) TP53MAPTTSHRHTTALDH1A1
SCHEMBL2117289 0.90 TP53 (0.69) TP53MAPTTSHRHTTALDH1A1
SCHEMBL1753212 0.88 TP53 (0.67) TP53MAPTTSHRHTTALDH1A1
SCHEMBL1753296 0.87 TP53 (0.78) TP53MAPTTSHRHTTALDH1A1
SCHEMBL1753227 0.87 TP53 (0.66) TP53MAPTTSHRHTTALDH1A1
SCHEMBL1753542 0.86 GRM1 (0.69) TP53MAPTTSHRHTTALDH1A1
SCHEMBL1753239 0.86 GRM1 (0.69) TP53MAPTTSHRHTTALDH1A1
SCHEMBL1753282 0.85 TP53 (0.64) TP53MAPTTSHRHTTALDH1A1
SCHEMBL2114753 0.84 TP53 (0.65) TP53MAPTTSHRHTTALDH1A1
SCHEMBL1753160 0.84 TP53 (0.62) TP53MAPTTSHRHTTALDH1A1

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-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
CN-102241680-A Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC 2011-11-16 CN claimed
US-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-10-01 US claimed
CN-101048408-A Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC (BM) 2007-10-03 CN claimed
EP-1807429-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM, LLC (BM) 2007-07-18 EP claimed
WO-2006047516-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2006-05-04 WO 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-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
CN-102241680-A Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC 2011-11-16 CN disclosed
CN-101048408-B Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC 2011-07-06 CN 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
CN-101048408-A Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC (BM) 2007-10-03 CN 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 4640/4885MAPT 1780/4885TSHR 2250/4885
US-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH TP53 4640/4885MAPT 1780/4885TSHR 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.