SCHEMBL1689277

SCHEMBL1689277

Cc1ccc(-c2nc3c(nc(C#N)n3-c3ccccc3)c(=O)n2-c2ccc(Br)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.59
DHFR P00374 2/20 0.47
ALDH1A1 P00352 9/20 0.45
RXFP1 Q9HBX9 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
RAB9A P51151 1/20 0.45
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
TP53 P04637 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
GRM1 Q13255 1/20 0.40
MDM2 Q00987 1/20 0.40
KDM4E B2RXH2 2/20 0.39

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
SCHEMBL12087971 0.89 TP53 (0.48) MAPTDHFRALDH1A1RXFP1NPSR1
SCHEMBL12088423 0.85 MAPT (0.64) MAPTDHFRALDH1A1RXFP1NPSR1
SCHEMBL1689007 0.85 MAPT (0.64) MAPTDHFRALDH1A1RXFP1NPSR1
SCHEMBL1689171 0.83 MAPT (0.61) MAPTDHFRALDH1A1RXFP1NPSR1
SCHEMBL1689461 0.82 MAPT (0.60) MAPTDHFRALDH1A1RXFP1NPSR1
SCHEMBL1689179 0.78 MAPT (0.41) MAPTALDH1A1RXFP1NPSR1LMNA
SCHEMBL1689034 0.78 MAPT (0.61) MAPTDHFRALDH1A1RXFP1NPSR1
SCHEMBL16302118 0.78 MAPT (0.40) MAPTALDH1A1RXFP1NPSR1LMNA
SCHEMBL1688966 0.76 MAPT (0.52) MAPTDHFRALDH1A1RXFP1LMNA
SCHEMBL1754753 0.75 MAPT (0.48) MAPTDHFRALDH1A1RXFP1NPSR1

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 20 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
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-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
EP-1807429-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM, LLC (BM) 2007-07-18 EP disclosed
WO-2006047516-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2006-05-04 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 (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 2867/4885ALDH1A1 2743/4885
US-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH MAPT 1780/4885DHFR 2867/4885ALDH1A1 2743/4885

“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.