SCHEMBL1753377

SCHEMBL1753377

CCOC(=O)c1noc(-c2ccccc2)c1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
TARBP2 Q15633 1/20 0.50
ALDH1A1 P00352 11/20 0.49
HSD17B10 Q99714 6/20 0.49
KDM4E B2RXH2 6/20 0.49
HPGD P15428 6/20 0.49
KMT2A Q03164 2/20 0.48
POLB P06746 1/20 0.47
MAPK1 P28482 1/20 0.47
TDP2 O95551 2/20 0.47
RAB9A P51151 4/20 0.47
TP53 P04637 2/20 0.47
PTPN1 P18031 1/20 0.47
CACNA1F O60840 1/20 0.46
CACNA1D Q01668 1/20 0.46
CACNA1S Q13698 1/20 0.46
CACNA1C Q13936 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
SCHEMBL12000496 0.86 TARBP2 (0.52) CYP1A2CYP3A4CYP2C9CYP2C19TARBP2
SCHEMBL5620040 0.85 CACNA1F (0.52) CYP1A2CYP3A4CYP2C9CYP2C19TARBP2
SCHEMBL1226917 0.83 TARBP2 (0.50) CYP1A2CYP3A4CYP2C9CYP2C19TARBP2
SCHEMBL31587044 0.83 ADORA3 (0.50) CYP1A2CYP3A4CYP2C9CYP2C19TARBP2
SCHEMBL768777 0.83 PTGS1 (0.51) CYP1A2CYP3A4CYP2C9CYP2C19TARBP2
SCHEMBL768773 0.83 TARBP2 (0.50) CYP1A2CYP3A4CYP2C9CYP2C19TARBP2
SCHEMBL17079301 0.83 TARBP2 (0.50) CYP1A2CYP3A4CYP2C9CYP2C19TARBP2
SCHEMBL2565415 0.81 PTGS1 (0.52) CYP1A2CYP3A4CYP2C9CYP2C19TARBP2
SCHEMBL13349507 0.81 TARBP2 (0.48) CYP1A2CYP3A4CYP2C9CYP2C19TARBP2
SCHEMBL9585523 0.81 BRD4 (0.53) CYP1A2CYP3A4CYP2C9CYP2C19TARBP2

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 10 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 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
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 CYP1A2 1653/4885CYP3A4 2267/4885CYP2C9 1295/4885
US-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH CYP1A2 1653/4885CYP3A4 2267/4885CYP2C9 1295/4885

“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.