SCHEMBL1753355

SCHEMBL1753355

Cc1nc2c(=O)n(-c3ccc(Br)cc3)c(-c3ccc(C(F)(F)F)cc3)nc2n1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
DHFR P00374 2/20 0.47
GRM1 Q13255 1/20 0.46
ALDH1A1 P00352 5/20 0.45
NPSR1 Q6W5P4 2/20 0.45
MAPK1 P28482 1/20 0.45
RXFP1 Q9HBX9 3/20 0.41
GRM5 P41594 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL12088423 0.89 MAPT (0.64) MAPTDHFRGRM1ALDH1A1NPSR1
SCHEMBL1688885 0.89 MAPT (0.49) MAPTDHFRGRM1ALDH1A1NPSR1
SCHEMBL1753288 0.84 MAPT (0.48) MAPTDHFRGRM1ALDH1A1NPSR1
SCHEMBL1753196 0.82 MAPT (0.42) MAPTDHFRGRM1ALDH1A1NPSR1
SCHEMBL1689007 0.80 MAPT (0.64) MAPTDHFRGRM1ALDH1A1NPSR1
SCHEMBL1688996 0.79 MAPT (0.48) MAPTDHFRGRM1ALDH1A1NPSR1
SCHEMBL1753226 0.79 MAPT (0.79) MAPTGRM1ALDH1A1MAPK1GRM5
SCHEMBL1689352 0.78 MAPT (0.52) MAPTGRM1ALDH1A1RXFP1GRM5
SCHEMBL1689049 0.78 ALDH1A1 (0.52) MAPTDHFRGRM1ALDH1A1NPSR1
SCHEMBL1753454 0.78 MAPT (0.43) MAPTGRM1ALDH1A1NPSR1MAPK1

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 15 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
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
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
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
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 MAPT 1780/4885DHFR 2867/4885GRM1 69/4885
US-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH MAPT 1780/4885DHFR 2867/4885GRM1 69/4885

“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.